![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenósín, N-bensóýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – O- [(1,1-dímetýletýl)dímetýlsílýl]-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl)fosfóramíðít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenósín, N-bensóýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – O- [(1,1-dímetýletýl)dímetýlsílýl]-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl)fosfóramíðít] (ACI) Valin mynd](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO.: 104992-55-4 Adenósín, N-bensóýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – O- [(1,1-dímetýletýl)dímetýlsílýl]-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl)fosfóramíðít] (ACI)
CAS skráningarnúmer
104992-55-4
| Lykilfræðilegir eiginleikar | Gildi | Ástand |
| Mólþyngd | 988,19 | - |
| pKa (spáð) | 7,87±0,43 | Mest súr hitastig: 25 °C |
Canonical BROS
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
Ísómerískt BROS
C(OC[C@H]1[C@@H](OP(N(C(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
InChI lykill
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Annað heiti fyrir þetta efni
Adenósín,N-bensóýl-5' -O- [bis(4-metoxýfenýl)fenýlmetýl]-2' -O- [(1,1-dímetýletýl)dímetýlsílýl]-, 3'-[2-sýanóetýl bis(1-metýletýl)fosfóramíðít] (9CI)
Spectra í boði
Messa
Eignir í boði
Líffræðileg
Efnafræðileg
Lipinski
Uppbyggingstengd
| Eign | Gildi | Ástand | Heimild |
| Lífþéttniþáttur | 5,50 x 105 | pH 1; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 2; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 3; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 4; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 5; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 6; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 7; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 8; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 9; Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 1,00 x 106 | pH 10; Hiti: 25°C | (1) ACD |
(1) Reiknað með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Eign | Gildi | Ástand | Heimild |
| Koc | 61500 | pH 1; Hiti: 25°C | (1) ACD |
| Koc | 1,64 x 106 | pH 2; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 3; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 4; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 5; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 6; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 7; Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 107 | pH 8; Hiti: 25°C | (1) ACD |
| Koc | 3,20 x 106 | pH 9; Hiti: 25°C | (1) ACD |
| Eign | Gildi | Ástand | Heimild |
| Koc | 9,24 x 105 | pH 10; Hiti: 25°C | (1) ACD |
| logD | 8,81 | pH 1; Hiti: 25°C | (1) ACD |
| logD | 10.24 | pH 2; Hiti: 25°C | (1) ACD |
| logD | 11.24 | pH 3; Hiti: 25°C | (1) ACD |
| logD | 11,73 | pH 4; Hiti: 25°C | (1) ACD |
| logD | 11.83 | pH 5; Hiti: 25°C | (1) ACD |
| logD | 11.83 | pH 6; Hiti: 25°C | (1) ACD |
| logD | 11.75 | pH 7; Hiti: 25°C | (1) ACD |
| logD | 11.31 | pH 8; Hiti: 25°C | (1) ACD |
| logD | 10.53 | pH 9; Hiti: 25°C | (1) ACD |
| logD | 9,99 | pH 10; Hiti: 25°C | (1) ACD |
| logP | 11,845±0,715 | Hiti: 25°C | (1) ACD |
| Innri leysni massa | 1,2 x 10-5 g/L | Hiti: 25°C | (1) ACD |
| Massaleysni | 3,5 x 10-3 g/L | pH 1; Hiti: 25°C | (1) ACD |
| Massaleysni | 1,1 x 10-4 g/L | pH 2; Hiti: 25°C | (1) ACD |
| Massaleysni | 9,9 x 10-6 g/L | pH 3; Hiti: 25°C | (1) ACD |
| Massaleysni | 3,4 x 10-6 g/L | pH 4; Hiti: 25°C | (1) ACD |
| Massaleysni | 2,7 x 10-6 g/L | pH 5; Hiti: 25°C | (1) ACD |
| Massaleysni | 2,7 x 10-6 g/L | pH 6; Hiti: 25°C | (1) ACD |
| Massaleysni | 3,2 x 10-6 g/L | pH 7; Hiti: 25°C | (1) ACD |
| Massaleysni | 8,9 x 10-6 g/L | pH 8; Hiti: 25°C | (1) ACD |
| Massaleysni | 6,3 x 10-5 g/L | pH 9; Hiti: 25°C | (1) ACD |
| Massaleysni | 4,2 x 10-4 g/L | pH 10; Hiti: 25°C | (1) ACD |
| Massaleysni | 3,2 x 10-6 g/L | Óbuffað vatn pH 7,00; Hiti: 25°C | (1) ACD |
| Innri leysni móls | 1,2 x 10-8 mól/L | Hiti: 25°C | (1) ACD |
| Molar leysni | 3,5 x 10-6 mól/L | pH 1; Hiti: 25°C | (1) ACD |
| Molar leysni | 1,1 x 10-7 mól/L | pH 2; Hiti: 25°C | (1) ACD |
| Molar leysni | 1,0 x 10-8 mól/L | pH 3; Hiti: 25°C | (1) ACD |
| Molar leysni | 3,4 x 10-9 mól/L | pH 4; Hiti: 25°C | (1) ACD |
| Molar leysni | 2,7 x 10-9 mól/L | pH 5; Hiti: 25°C | (1) ACD |
| Molar leysni | 2,7 x 10-9 mól/L | pH 6; Hiti: 25°C | (1) ACD |
| Molar leysni | 3,2 x 10-9 mól/L | pH 7; Hiti: 25°C | (1) ACD |
| Eign | Gildi | Ástand | Heimild |
| Molar leysni | 9,0 x 10-9 mól/L | pH 8; Hiti: 25°C | (1) ACD |
| Molar leysni | 6,4 x 10-8 mól/L | pH 9; Hiti: 25°C | (1) ACD |
| Molar leysni | 4,2 x 10-7 mól/L | pH 10; Hiti: 25°C | (1) ACD |
| Molar leysni | 3,2 x 10-9 mól/L | Óbuffað vatn pH 7,00; Hiti: 25°C | (1) ACD |
| Mólþyngd | 988,19 | ||
| pKa | 7,87±0,43 | Mest súr hitastig: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Mest grunnhiti: 25 °C | (1) ACD |
(1) Reiknað með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Eign | Gildi | Ástand | Heimild |
| Frí snúanleg skuldabréf | 21 | (1) ACD | |
| H Viðtakendur | 15 | (1) ACD | |
| H Gefendur | 1 | (1) ACD | |
| H Gefa/viðtakandi Summa | 16 | (1) ACD | |
| logP | 11,845±0,715 | Hiti: 25°C | (1) ACD |
| Mólþyngd | 988,19 |
| Eign | Gildi | Ástand Heimild |
| Polar Surface Area | 178 A2 | (1) ACD |
(1) Reiknað með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Ítarlegri efnafræðiþróun (ACD/Labs) hugbúnaður V11.02 (© 1994-2023 ACD/Labs)
Spectra í boði
1H NMR
13C NMR
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