C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methox yethyl)- 5-methyl-, 3′ - [2-cyanoethyl N,N-bis(1- methylethyl)ffosffor amidite] (ACI)
Rhif Cofrestrfa CAS
163878-63-5
H302
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 818.89 | - |
pKa (Rhagweld) | 9.55±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau Canonaidd
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C
GWênau Isomerig
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5= CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-) 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Allwedd InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Enwau Eraill ar y Sylwedd hwn
Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)ffosffor
amidite] (9CI); 10: PN: US20030212017 TUDALEN: 18 hawlio RNA; 11: PN: US20030211606 TUDALEN: 18 hawlio RNA; 13: PN: US20040
005569 TUDALEN: 21 hawlio RNA; 13: PN: US20040006030 TUDALEN: 22 hawlio RNA; 13: PN: US20040014048 TUDALEN: 19 hawlio RNA; 13: PN: US20040014049 TUDALEN: 19 hawlio RNA; 14: PN: US20030198965 TUDALEN: 19 hawlio RNA; 14: PN: US20040005565 TUDALEN: 17- 22 hawlio RNA; 14: PN: US20040005570 TUDALEN: 19 hawlio RNA; 14: PN: US20040014047 TUDALEN: 19 hawlio RNA; 14: PN: US20040
014699 TUDALEN: 19 hawlio RNA; 15: PN: US20040014050 TUDALEN: 19 hawlio RNA; 15: PN: US20040014051 TUDALEN: 21 hawlio RNA; 15:
PN: WO03106645 TUDALEN: 69 hawlio RNA; 16: PN: US20040006029 TUDALEN: 22 hawlio RNA; 87: PN: US20040005707 TUDALEN: 19 hawlio RNA
Sbectra ar gael
1 H NMR
13 C NMR
Hetero NMR
Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Bio-ganolbwyntio | 348 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 2810. llarieidd-dra eg | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 21100 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 63100 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 78800 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 80800 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 80800 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 78800 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 63400 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 21800. llarieidd-dra eg | 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)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 487 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 1.10 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 6.761±0.669 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Torfol | 2.0 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 0.046 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 5.7 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 7.6 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.5 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.0 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.0 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.0 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.0 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.5 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 7.4 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.0 x 10-4 g/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid molar | 2.4 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.6 x 10-5 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 7.0 x 10-6 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 9.3 x 10-7 môl/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.1 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.5 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.5 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.1 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 9.0 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 818.89 | ||
pKa | 9.55±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
pKa | 3.45±0.70 | 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)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroadwy | 21 | (1) ACD | |
H Derbynwyr | 14 | (1) ACD | |
H Rhoddwyr | 1 | (1) ACD | |
H Swm Rhoddwr/Derbynnydd | 15 | (1) ACD | |
logP | 6.761±0.669 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 818.89 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Ffynhonnell Cyflwr |
Arwynebedd Pegynol | 164 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1 H NMR
13 C NMR
Ffynhonnell Datganiad Perygl Cod | |
H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu'r Asiantaeth Cemegol Ewropeaidd (ECHA). Rhestr - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf cyffredin, Asiantaeth Cemegol Ewropeaidd (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf difrifol |