![C50H58N7O9P Adenosin, N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-bensoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI) Delwedd Nodwedd](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosin, N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)
Rhif Cofrestru CAS
251647-53-7
H302
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 932.01 | - |
| pKa (Rhagfynegedig) | 7.87±0.43 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
N#CCCOP(OC1C(OC(N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C(C7)N(C)C
GWÊNAU Isomerig
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 =CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1/s1
Allwedd InChI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Enw Arall ar gyfer y Sylwedd hwn
Adenosin,N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
ffosfforamidit] (9CI); 16: PN: US20030211606 TUDALEN: 19 dilyniant hawliedig; 16: PN: US20030212017 TUDALEN: 20 dilyniant hawliedig; 17: PN: US20040005569 TUDALEN: 22 dilyniant hawliedig; 19: PN: US20040006030 TUDALEN: 23 dilyniant hawliedig; 19: PN: US20040014047
TUDALEN: 21 dilyniant hawliedig; 19: PN: US20040014049 TUDALEN: 21 dilyniant hawliedig; 20: PN: US20040005570 TUDALEN: 20 hawliedig
dilyniant; 20: PN: US20040014048 TUDALEN: 21 dilyniant hawliedig; 20: PN: US20040014050 TUDALEN: 20 dilyniant hawliedig; 21: PN: U
S20040005565 TUDALEN: 17- 22 dilyniant hawliedig; 21: PN: US20040014051 TUDALEN: 23 dilyniant hawliedig; 22: PN: US20040014699 TUDALEN: 20 dilyniant hawliedig; 23: PN: US20040006029 TUDALEN: 23 dilyniant hawliedig; 23: PN: WO03106645 TUDALEN: 73 dilyniant hawliedig; 94: P N: US20040005707 TUDALEN: 20 dilyniant hawliedig
Spectra sydd ar gael
1H NMR
13C NMR
NMR Hetero
Eiddo sydd ar gael
Biolegol
Cemegol
Lipinski
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 2680 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 71500 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 7.21 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 8.48 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.39 x 105 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 40300 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1360 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1.42 x 106 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 5.4 x 10-5 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.051 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.9 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.9 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 6.0 x 10-5 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.8 x 10-5 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.8 x 10-5 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-5 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.6 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.6 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.7 x 10-5 g/L | Dŵr Heb ei Gluffio pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 5.8 x 10-8 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 5.5 x 10-5 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.0 x 10-6 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 2.0 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.4 x 10-8 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 5.1 x 10-8 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 5.1 x 10-8 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.2 x 10-8 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.7 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.0 x 10-6 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.9 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.1 x 10-8 mol/L | Dŵr Heb ei Gluffio pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 932.01 | ||
| pKa | 7.87±0.43 | 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 22 | (1) ACD | |
| Derbynyddion H | 16 | (1) ACD | |
| Rhoddwyr H | 1 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 17 | (1) ACD | |
| logP | 8.803±0.766 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 932.01 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Arwynebedd Wyneb Pegynol | 187 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
| Côd Datganiad Perygl Ffynhonnell | |
| H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) Rhestr - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Asiantaeth Gemegol Ewrop (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
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