C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 601.65 | - |
Kiato (I Matapaetia) | 1.28±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I matapaetia) | 10.19±0.20 | Te Mahana Waiwawa Nui: 25 °C |
MATE 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
NGĀ ATA ISOMER 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
Kī InChI
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ētahi atu Ingoa mō tēnei matū
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (ACI)
Nga rawa e waatea ana |
Koiora |
Te matū |
Kiato |
Lipinski |
Hanganga e Pa ana |
Koiora
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 8.87 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 27.8 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 171 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 515 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 650 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 668 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 668 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 657 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 560 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 229 | pH 10; Te Mamahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
Taonga | Uara | Tikanga | Puna |
Koc | 48.6 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 152 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 935 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 2820 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 3560 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 3660 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Koc | 3660 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 3600 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Koc | 3070 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 1250 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 2.14 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 2.64 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
rangitakiD | 3.43 | pH 3; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 3.91 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.01 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.02 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.02 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.01 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 3.94 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 3.55 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiP | 4.021±0.768 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 1.3 x 10-3 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.10 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.032 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.2 x 10-3 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.7 x 10-3 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.4 x 10-3 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.3 x 10-3 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.3 x 10-3 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.3 x 10-3 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.6 x 10-3 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.9 x 10-3 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.3 x 10-3 g/L | Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 2.2 x 10-6 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.7 x 10-4 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-5 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 8.6 x 10-6 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-6 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.3 x 10-6 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.2 x 10-6 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.6 x 10-6 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 6.4 x 10-6 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Molar Solubility | 2.2 x 10-6 mol/L | Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 601.65 | ||
pKa | 10.19±0.20 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
pKa | 3.57±0.20 | Te Mahana Matua: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
Taonga | Uara | Tikanga | Puna |
Kiato | 1.28±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 466.5±7.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Taonga | Uara | Tikanga | Puna |
Nga here e taea te huri noa | 11 | (1) ACD | |
H Nga Kaiwhiwhi | 11 | (1) ACD | |
H Nga Kaituku | 2 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 13 | (1) ACD | |
rangitakiP | 4.021±0.768 | Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 601.65 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
Taonga | Uara | Tikanga | Puna |
Rohe Mata Polar | 128 A2 | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR