![C41H49FN5O8P Cytidin, N-acetyl-5′-O-[bis(4-metoxifenyl)fenylmetyl]-2′-deoxi-2′-fluor-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidin, N-acetyl-5′-O-[bis(4-metoxifenyl)fenylmetyl]-2′-deoxi-2′-fluor-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidit] (ACI) Utvald bild](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidin, N-acetyl-5′-O-[bis(4-metoxifenyl)fenylmetyl]-2′-deoxi-2′-fluor-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidit] (ACI)
CAS-registreringsnummer
159414-99-0
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 789,83 | - |
| pKa (förutspådd) | 10,11±0,20 | Suraste temperatur: 25 °C |
Kanoniska LEENDEN
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
Isomera LEENDEN
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)45)(44-29)45)(45)(45) 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-nyckel
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Annat namn för detta ämne
Cytidin,N-acetyl-5'-O- [bis(4-metoxifenyl)fenylmetyl]-2'-deoxi-2'-fluor-, 3'-[2-cyanoetylbis(1-metyletyl)fosforamidit] (9CI)
Tillgängliga spektra
Massa
Tillgängliga fastigheter
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 8,60 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 90,3 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3940 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 39100 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 64300 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 68100 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 68300 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 66800 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 54300 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 19200 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) programvara V11.02 (© 1994-2023 ACD/Labs)
| Egendom | Värde | Skick | Källa |
| Koc | 12.6 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 28200 | pH 10; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| logD | 2,76 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 3,79 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 5,43 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 6,42 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 6,64 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 6,66 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 6,66 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 6,65 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 6,56 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,666±0,764 | Temperatur: 25 °C | (1) ACD |
| Massans inneboende löslighet | 4,5 x 10⁻⁶ g/L | Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 0,36 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 0,035 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 7,90 x 10⁻⁴ g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 7,9 x 10⁻⁶ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 4,8 x 10⁻⁶ g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 4,6 x 10⁻⁶ g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 4,6 x 10⁻⁶ g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 4,7 x 10⁻⁶ g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 5,7 x 10⁻⁶ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,6 x 10⁻⁴ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 4,6 x 10⁻⁶ g/L | Obuffrat vatten pH 7,00; Temp: 25 °C | (1) ACD |
| Molär inneboende löslighet | 5,7 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 4,6 x 10⁻⁴ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 4,4 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,00 x 10⁻⁶ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,0 x 10⁻⁶ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,1 x 10⁻⁶ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 5,8 x 10⁻⁶ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 5,8 x 10⁻⁶ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 5,9 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Molär löslighet | 7,2 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,0 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 5,8 x 10⁻⁶ mol/L | Obuffrat vatten pH 7,00; Temp: 25 °C | (1) ACD |
| Molekylvikt | 789,83 | ||
| pKa | 10,11±0,20 | Suraste temperatur: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Mest grundläggande temperatur: 25 °C | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) programvara V11.02 (© 1994-2023 ACD/Labs)
| Egendom | Värde | Källa för villkor |
| Polär yta | 158 A2 | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) programvara V11.02 (© 1994-2023 ACD/Labs)
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