![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
104992-55-4
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 988.19 | - |
| pKa (Air a ro-innse) | 7.87±0.43 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)N(C(C)C)C(C)C
SMILES Isomeric
C(OC[C@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C) (C)(C)C)(C)C)[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/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-) 13-17-22-39,40-23-27-42(62-8)28-24-40)41-25-29-43(63-9)30-26-41)66-51(47( 46) 68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19- 14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58, 61)/t44-,46-,47-,51-,69?/m1/s1
Iuchrach InChI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Ainm eile do'n t-Suim so
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl bis (1- methylethyl) phosphoramidite] (9CI)
Spectra ri fhaighinn
Aifreann
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 5.50 x 105 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Còc | 61500 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.64 x 106 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 107 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 3.20 x 106 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 9.24 x 105 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 1.2 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-3 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-6 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.4 x 10-6 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.7 x 10-6 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.7 x 10-6 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.2 x 10-6 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.9 x 10-6 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.3 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.2 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.2 x 10-6 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.2 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-6 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-8 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.4 x 10-9 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 988.19 | ||
| pKa | 7.87±0.43 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 21 | (1) ACD | |
| H Luchd-gabhail | 15 | (1) ACD | |
| H Luchd-tabhartais | 1 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 16 | (1) ACD | |
| logP | 11.845±0.715 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 988.19 |
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar Polar | 178 A2 | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1 H NMR
13 C NMR
![C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine-300x300.png)
![C48H54N7O8P Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - O-methyl-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)
![C40H49N4O9P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C47H60N7O10P Guanosine, 5 ′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2 ′ -O- (2- methoxyethyl) -N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
![C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O- methyl-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] ( ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)