![C33H35N3O8 Cytidin, N-acetyl-5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidin, N-acetyl-5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metyl- (9CI, ACI) Utvald bild](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidin, N-acetyl-5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metyl- (9CI, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 601,65 | - |
| Densitet (förutspådd) | 1,28±0,1 g/cm3 | Temp: 20°C; Tryck: 760 Torr |
| pKa (förutspådd) | 10,19±0,20 | Mest sura temperatur: 25 °C |
Kanoniska SMILES O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Isomera LEENDE C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)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/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17- 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
InChI-nyckel
FINUHOJILDNELQ-PMFUCWTESA-N
1 Annat namn för detta ämne
N-acetyl-5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metylcytidin (ACI)
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 8,87 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 27.8 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 171 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 515 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 650 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 668 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 668 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 657 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 560 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 229 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 48,6 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 2,64 | pH 2; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| logD | 3,43 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 3,91 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 3,94 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,55 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,021±0,768 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1,3 x 10-3 g/L | Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 0,10 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 0,032 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 5,2 x 10-3 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,7 x 10-3 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,4 x 10-3 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,3 x 10-3 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,3 x 10-3 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,3 x 10-3 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,6 x 10-3 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,9 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,3 x 10-3 g/L | Obuffrat vatten pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar inre löslighet | 2,2 x 10-6 mol/L | Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,7 x 10-4 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 5,3 x 10-5 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 8,6 x 10-6 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,9 x 10-6 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,3 x 10-6 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,2 x 10-6 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,2 x 10-6 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,2 x 10-6 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,6 x 10-6 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,4 x 10-6 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Molär löslighet | 2,2 x 10-6 mol/L | Obuffrat vatten pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 601,65 | ||
| pKa | 10,19±0,20 | Mest sura temperatur: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Mest grundläggande temperatur: 25 °C | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,28±0,1 g/cm3 | Temp: 20°C; Tryck: 760 Torr | (1) ACD |
| Molar volym | 466,5±7,0 cm3/mol | Temp: 20°C; Tryck: 760 Torr | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 11 | (1) ACD | |
| H Acceptorer | 11 | (1) ACD | |
| H Donatorer | 2 | (1) ACD | |
| H Donator/Acceptor Summa | 13 | (1) ACD | |
| logP | 4,021±0,768 | Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 601,65 |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polar yta | 128 A2 | (1) ACD | |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tillgängliga
'H NMR
13C NMR
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