C31h32n2o8 Uridine, 5'-o- [4-Methodyphyl) Phenylmthyl] -2'-o-Methyl- (9c
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 560.60 | - |
Dicht (virausgesot) | 1.35 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 9.39 ± 0,10 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C1C = CN (C (= O) C1) C2OC (CC = 3C = CC3) (CC3 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC1 = CC1
ISOM = C (oc) c = C3) 1o [C. = c (c @ h] c = c4) c5 = CC = C2C (= O) C2C (= O) C2
Inchi
Inchi = 1s / c31h32n2o8 / C1-37-27-13) 28 (10-14-3) 31 (20-7-50,2-11--20,2-11--24,2-11-15,2-24 (3-12-22) 40-111h3.D5-27-13-9 (10-14-23) 29 (20-7-50,2-11--20,2-15-15--24,2-15-15-25,00-22) 40-111h3.--27-13-9-218 (10-14-3) 31 (20-7-50,2-11--20,2-11--24,2-11--24,2-15,2-25,00-22) 40-11/31h37-27-13-9) 28-3) 21-3)
33-18-17-26 (32-- - 39---- / M1 / S1,27-297.30.13h, 19h2.1-300, 19h2.1-38-3,13 Joer) / T25-18-17-, 28- (33) 36- / M1 / S1,27
Inchi Schlëssel
Mfdhavfjdrpkc-yxinzvnlsa-n
2 aner Nimm fir dës Substanz
5'-O- [4-Methodyphonyl) Phenylthyl] -2'-O-Methyluridine (ACI); 5'-o- (4.4'-Dimethoxtragment) -2'-O-Methyluridine
Spektre verfügbar
1h nmr
Mass vun Mass
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1240 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 123030 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1190 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 861 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2388 | 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 | 5690 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 5690 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 5690 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 5690 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 5690 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 5690 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 5670 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 5450 | pH 8; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 3960 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 1100 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.37 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.35 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.21 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.66 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 4.372 ± 0,582 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 3.7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.8 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.3 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.9 x 10-3 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 6.6 x 10-7 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.8 x 10-7 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 9.4 x 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.4 x 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.6 x 10-7 MOL / L | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 560.60 | ||
paka | 9.39 ± 0,10 | Meescht sauer 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 | 1.35 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 412.9 ± 5.0 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 | 10 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 12 | (1) ACD | |
AloggenO Aloggen | 4.372 ± 0,582 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 560.60 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 116 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr