![C41H49FN5O8P Cytidín, N-asetýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – deoxý-2'-flúoró-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl) fosfóramíðít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidín, N-asetýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – deoxý-2'-flúoró-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl) fosfóramíð] (ACI) Valin mynd](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidín, N-asetýl-5'-O- [bis(4-metoxýfenýl)fenýlmetýl]-2' – deoxý-2'-flúoró-, 3' – [2-sýanóetýl N,N-bis(1-metýletýl) fosfóramíðít] (ACI)
CAS skráningarnúmer
159414-99-0
| Lykilfræðilegir eiginleikar | Gildi | Ástand |
| Mólþyngd | 789,83 | - |
| pKa (spáð) | 10,11±0,20 | Mest súr hitastig: 25 °C |
Canonical BROS
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)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](F)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4 )C5=CC=CC=C5
InChI
InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46- 24-22-36(44-29(5)48)45-40(46)49)26-52- 41(30-12-9-8-10-13-30,31-14-18-33( 50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11, 25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChI lykill
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Annað heiti fyrir þetta efni
Cytidín,N-asetýl-5′ -O- [bis(4-metoxýfenýl)fenýlmetýl]-2'-deoxý-2'-flúoró-, 3'- [2-sýanóetýl bis(1-metýletýl)fosfóramíðít] (9CI)
Spectra í boði
Messa
Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbyggingstengd
| Eign | Gildi | Ástand | Heimild |
| Lífþéttniþáttur | 8,60 | pH 1;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 90,3 | pH 2;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 3940 | pH 3;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 39100 | pH 4;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 64300 | pH 5;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 68100 | pH 6;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 68300 | pH 7;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 66800 | pH 8;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 54300 | pH 9;Hiti: 25°C | (1) ACD |
| Lífþéttniþáttur | 19200 | 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 | 12.6 | pH 1;Hiti: 25°C | (1) ACD |
| Koc | 133 | pH 2;Hiti: 25°C | (1) ACD |
| Koc | 5790 | pH 3;Hiti: 25°C | (1) ACD |
| Koc | 57400 | pH 4;Hiti: 25°C | (1) ACD |
| Koc | 94500 | pH 5;Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 105 | pH 6;Hiti: 25°C | (1) ACD |
| Koc | 1,00 x 105 | pH 7;Hiti: 25°C | (1) ACD |
| Koc | 98200 | pH 8;Hiti: 25°C | (1) ACD |
| Koc | 79700 | pH 9;Hiti: 25°C | (1) ACD |
| Koc | 28200 | pH 10;Hiti: 25°C | (1) ACD |
| Eign | Gildi | Ástand | Heimild |
| logD | 2,76 | pH 1;Hiti: 25°C | (1) ACD |
| logD | 3,79 | pH 2;Hiti: 25°C | (1) ACD |
| logD | 5,43 | pH 3;Hiti: 25°C | (1) ACD |
| logD | 6.42 | pH 4;Hiti: 25°C | (1) ACD |
| logD | 6,64 | pH 5;Hiti: 25°C | (1) ACD |
| logD | 6,66 | pH 6;Hiti: 25°C | (1) ACD |
| logD | 6,66 | pH 7;Hiti: 25°C | (1) ACD |
| logD | 6,65 | pH 8;Hiti: 25°C | (1) ACD |
| logD | 6,56 | pH 9;Hiti: 25°C | (1) ACD |
| logD | 6.11 | pH 10;Hiti: 25°C | (1) ACD |
| logP | 6,666±0,764 | Hiti: 25°C | (1) ACD |
| Innri leysni massa | 4,5 x 10-5 g/L | Hiti: 25°C | (1) ACD |
| Massaleysni | 0,36 g/L | pH 1;Hiti: 25°C | (1) ACD |
| Massaleysni | 0,035 g/L | pH 2;Hiti: 25°C | (1) ACD |
| Massaleysni | 7,90 x 10-4 g/L | pH 3;Hiti: 25°C | (1) ACD |
| Massaleysni | 7,9 x 10-5 g/L | pH 4;Hiti: 25°C | (1) ACD |
| Massaleysni | 4,8 x 10-5 g/L | pH 5;Hiti: 25°C | (1) ACD |
| Massaleysni | 4,6 x 10-5 g/L | pH 6;Hiti: 25°C | (1) ACD |
| Massaleysni | 4,6 x 10-5 g/L | pH 7;Hiti: 25°C | (1) ACD |
| Massaleysni | 4,7 x 10-5 g/L | pH 8;Hiti: 25°C | (1) ACD |
| Massaleysni | 5,7 x 10-5 g/L | pH 9;Hiti: 25°C | (1) ACD |
| Massaleysni | 1,6 x 10-4 g/L | pH 10;Hiti: 25°C | (1) ACD |
| Massaleysni | 4,6 x 10-5 g/L | Óbuffað vatn pH 7,00;Hiti: 25°C | (1) ACD |
| Innri leysni móls | 5,7 x 10-8 mól/L | Hiti: 25°C | (1) ACD |
| Molar leysni | 4,6 x 10-4 mól/L | pH 1;Hiti: 25°C | (1) ACD |
| Molar leysni | 4,4 x 10-5 mól/L | pH 2;Hiti: 25°C | (1) ACD |
| Molar leysni | 1,00 x 10-6 mól/L | pH 3;Hiti: 25°C | (1) ACD |
| Molar leysni | 1,0 x 10-7 mól/L | pH 4;Hiti: 25°C | (1) ACD |
| Molar leysni | 6,1 x 10-8 mól/L | pH 5;Hiti: 25°C | (1) ACD |
| Molar leysni | 5,8 x 10-8 mól/L | pH 6;Hiti: 25°C | (1) ACD |
| Molar leysni | 5,8 x 10-8 mól/L | pH 7;Hiti: 25°C | (1) ACD |
| Molar leysni | 5,9 x 10-8 mól/L | pH 8;Hiti: 25°C | (1) ACD |
| Eign | Gildi | Ástand | Heimild |
| Molar leysni | 7,2 x 10-8 mól/L | pH 9;Hiti: 25°C | (1) ACD |
| Molar leysni | 2,0 x 10-7 mól/L | pH 10;Hiti: 25°C | (1) ACD |
| Molar leysni | 5,8 x 10-8 mól/L | Óbuffað vatn pH 7,00;Hiti: 25°C | (1) ACD |
| Mólþyngd | 789,83 | ||
| pKa | 10,11±0,20 | Mest súr hitastig: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | 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 |
| Polar Surface Area | 158 A2 | (1) ACD |
(1) Reiknað með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
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