C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 601.65 | - |
To'atele (Va'ai) | 1.28±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
pKa (vala'aina) | 10.19±0.20 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I 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
Isomeric SMILES 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 Ki
FINUHOJILDNELQ-PMFUCWTESA-N
1 Isi igoa mo lenei mea
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (ACI)
Meatotino avanoa |
Fa'aolaola |
Kemisi |
Malosi |
Lipinski |
Fauga Faatatau |
Fa'aolaola
Meatotino | Taua | Tulaga | Punavai |
Bioconcentration Factor | 8.87 | pH 1; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 27.8 | pH 2; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 171 | pH 3; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 515 | pH 4; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 650 | pH 5; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 668 | pH 6; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 668 | pH 7; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 657 | pH 8; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 560 | pH 9; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 229 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
Meatotino | Taua | Tulaga | Punavai |
Koc | 48.6 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 152 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 935 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 2820 | pH 4; Maalili: 25 °C | (1) ACD |
Koc | 3560 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 3660 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 3660 | pH 7; Maalili: 25 °C | (1) ACD |
Koc | 3600 | pH 8; Maalili: 25 °C | (1) ACD |
Koc | 3070 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 1250 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | 2.14 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | 2.64 | pH 2; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
ogalaauD | 3.43 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.91 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.01 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.02 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.02 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.01 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.94 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.55 | pH 10; Maalili: 25 °C | (1) ACD |
logP | 4.021±0.768 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 1.3 x 10-3 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.10 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.032 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.7 x 10-3 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.4 x 10-3 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.3 x 10-3 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.3 x 10-3 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.3 x 10-3 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.6 x 10-3 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.9 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.3 x 10-3 g/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 2.2 x 10-6 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 1.7 x 10-4 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-5 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.6 x 10-6 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-6 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.3 x 10-6 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.6 x 10-6 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.4 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Molar Solubility | 2.2 x 10-6 mol/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
Molecular Weight | 601.65 | ||
pKa | 10.19±0.20 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
pKa | 3.57±0.20 | Vave Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
Meatotino | Taua | Tulaga | Punavai |
Malosi | 1.28±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
Molar Volume | 466.5±7.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Meatotino | Taua | Tulaga | Punavai |
Noanoaga e mafai ona fesuia'i saoloto | 11 | (1) ACD | |
H Tagata talia | 11 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Fa'ameaalofa/Tagata Talia | 13 | (1) ACD | |
logP | 4.021±0.768 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 601.65 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
Meatotino | Taua | Tulaga | Punavai |
Polar Surface Area | 128 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR