C33H35n3o8 Cytidine, N-Acetyl-5'-o- [4-Methodyphyl) Phenylmthyl] -2'-.
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 601,65 | - |
Dicht (virausgesot) | 1.28 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 10.19 ± 0,20 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C1N = C (CN1C2OC (Coc (C = 3c = CC = CC3) (C4 = CC = C2C = C2C = C2C = C2: CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = C2
ISOM = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = CC = CC = C2
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 / H5-19.29_18h, 20h2h3,37,37,37,37,37-, 30--- - 3-------- / M1--
Inchi Schlëssel
Finuhojildelq-PMFUKWETSA-n
1 aneren Numm fir dës Substanz
N-Acetyl-5'-o- [BI (4-Methodyphonel) Phenylthyl] -2' -2'-O-Methylcycletin (ACI)
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 8.87 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 27.8.8 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 171 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 515 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 650 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 668 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 668 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6577 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 5,60 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 229 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Chemeschen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 48.6 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 1522 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 935 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 2820 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 3560 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 3660 Auer | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 3660 Auer | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 3600 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 3070 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 1250 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 2.14 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 2.64 | pH 2; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Aloggenlogt | 3.43 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.91 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.01 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.02 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.02 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.01 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.94 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3,55 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 1.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,10 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,032 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.2 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-3 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.4 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-3 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.6 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.9 x 10-3 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-3 g / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 2.2 x 10-6 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.3 x 10-5 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.6 X 10-6 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 X 10-6 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.3 x 10-6 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.2 x 10-6 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.2 x 10-6 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.2 x 10-6 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.6 X 10-6 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.4 x 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 2.2 x 10-6 MOL / L | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 601,65 | ||
paka | 10.19 ± 0,20 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 3.57 ± 0,20 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 1.28 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 466.5 ± 7,0 cm3 / mol | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Lipinski
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Fräi rotativ Obligatiounen | 11 | (1) ACD | |
H Akzeptoren | 11 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 13 | (1) ACD | |
AloggenO Aloggen | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 601,65 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 128 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr