![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 721.80 | - |
| Pwynt Toddi (Arbrofol) | 107-110 °C | - |
| Dwysedd (Rhagweld) | 1.26 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 8.60±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
GWênau Isomerig
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Allwedd InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Enwau Eraill ar y Sylwedd hwn
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 TUDALEN: 57 hawlio RNA; 12: PN: US20030170636 TUDALEN: 17 hawlio R NA; 13: PN: US20030212017 TUDALEN: 19 hawlio R NA; 14: PN: US20030
211606 TUDALEN: 19 hawlio R NA; 15: PN: US20040005569 TUDALEN: 22 hawlio R NA; 16: PN: US20040006030 TUDALEN: 22 hawlio R NA; 16: PN: US20040014048 TUDALEN: 20 hawlio R NA; 17: PN: US20030171313 TUDALEN: 9 hawlio R NA; 17: PN: US20040005565 TUDALEN: 17- 22 hawlio RNA; 17: PN: US20040005570 TUDALEN: 20 hawlio R NA; 17: PN: US20040014047 TUDALEN: 20 hawlio R NA; 17: PN: US20040 014050 TUDALEN: 20 hawlio R NA; 18: PN: US20030198965 TUDALEN: 19 hawlio R NA; 18: PN: US20040014699 TUDALEN: 20 hawlio R NA; 19: PN: US20040006029 TUDALEN: 23 hawlio R NA; 19: PN: WO03106645 TUDALEN: 71 hawlio R NA; 59: PN: US20030166592 TUDALEN: 15 hawlio RNA; 6: PN: WO2005006958 TUDALEN: 62 hawlio R NA; 83: PN: US20040171566 TUDALEN: 18 hawlio R NA; 8: PN: WO2005007825
TUDALEN: 62 hawlio R NA; 90: PN: US20040005707 TUDALEN: 20 hawlio R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Eiddo ar gael |
| Thermol |
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ymdoddbwynt | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2018), 37(4), 232-247, CAplus
Sbectra ar gael
1H NMR
13C NMR
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 291 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 644 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3690 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 15600 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 23700 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 24800 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 23300 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 14100 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3010 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 558 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 569 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 1260. llarieidd-dra eg | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 1.3 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.011 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.0 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 8.7 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.1 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Torfol | 1.4 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.3 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.4 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.3 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.1 x 10-3 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.4 x 10-4 g/L | Dŵr heb ei glustogi pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 1.8 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-5 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.9 x 10-6 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.2 x 10-6 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.9 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.9 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.2 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-6 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.0 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.9 x 10-7 mol/L | Dŵr heb ei glustogi pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 721.80 | ||
| pKa | 8.60±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.26 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 572.5±7.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 15 | (1) ACD | |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| H Derbynwyr | 12 | (1) ACD | |
| H Rhoddwyr | 2 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 14 | (1) ACD | |
| logP | 6.093±0.720 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 721.80 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 137 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
| Cod | Datganiad Perygl | Ffynhonnell |
| H335 | Gall achosi llid anadlol | Rhestr Dosbarthu a Labelu yr Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf difrifol |
| H319 | Yn achosi llid llygaid difrifol | Rhestr Dosbarthu a Labelu yr Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf difrifol |
| H315 | Yn achosi llid y croen | Rhestr Dosbarthu a Labelu yr Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Cemegol Ewropeaidd (ECHA) - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf difrifol |
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