![C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - O- (2-methoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) ) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - O- (2-methoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) ) phosphoramidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - O- (2-methoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) ) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
251647-53-7
H302
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 932.01 | - |
| 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)C1OCCOC)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](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
Iuchrach InChI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Ainmean eile air son an Fhois so
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl)
phosphoramidite] (9CI); 16: PN: US20030211606 DUILLEAG: 19 agairt sreath; 16: PN: US20030212017 DUILLEAG: 20 agairt sreath; 17: PN: US20040005569 DUILLEAG: 22 agairt sreath; 19: PN: US20040006030 DUILLEAG: 23 agairt sreath; 19: PN: US20040014047
DUILLEAG: 21 agairt sreath; 19: PN: US20040014049 DUILLEAG: 21 agairt sreath; 20: PN: US20040005570 DUILLEAG: 20 air a thagradh
sreath; 20: PN: US20040014048 DUILLEAG: 21 agairt sreath; 20: PN: US20040014050 DUILLEAG: 20 agairt sreath; 21: PN: U
S20040005565 DUILLEAG: 17- 22 agairt sreath; 21: PN: US20040014051 DUILLEAG: 23 agairt sreath; 22: PN: US20040014699 DUILLEAG: 20 agairt sreath; 23: PN: US20040006029 DUILLEAG: 23 agairt sreath; 23: PN: WO03106645 DUILLEAG: 73 agairt sreath; 94: P N: US20040005707 DUILLEAG: 20 iarrtas sreath
Spectra ri fhaighinn
1 H NMR
13 C NMR
Hetero NMR
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 2680 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 71500 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.39 x 105 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 40300 | 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 | 1360 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 36300 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 3.66 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.13 x 106 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 1.42 x 106 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.42 x 106 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.17 x 106 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 4.30 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 70800 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 20500 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 5.4 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.051 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.9 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.9 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.0 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.8 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.8 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.8 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.6 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.6 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.7 x 10-5 g/L | Uisge gun bhacadh pH 6.97; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 5.8 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.0 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 2.0 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.2 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-6 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | Uisge gun bhacadh pH 6.97; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 932.01 | ||
| 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 | 22 | (1) ACD | |
| H Luchd-gabhail | 16 | (1) ACD | |
| H Luchd-tabhartais | 1 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 17 | (1) ACD | |
| logP | 8.803±0.766 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 932.01 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar Polar | 187 A2 | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1 H NMR
13 C NMR
| Stòr Aithris Cunnart Còd | |
| H302 Doirbh ma shluigear e | Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA). Clàr-stuthan - Seòrsachadh agus bileagan fiosraichte - na fiosan as cumanta, Buidheann Ceimigeach na h-Eòrpa (ECHA) Clàr Seòrsachadh & Labeling - Seòrsachadh fiosraichte agus bileagan - na fiosan as miosa |
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