C30H29FN2o7 uridine, 5'-o- [4-Methodyphyl) Phenylthylyl] -2'-Deo-luoro- (9-luoro-
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 548.56 | - |
Schmelzen Punkt (experimentell) | 118-120 ° C | - |
Dicht (virausgesot) | 1.38 ± 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) N2OC (COC (C = 3C = CC3) (CC3 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC1 = CC1
ISOM) C = C3) (C4 = CC = C (oc) C = C4) C5 = CC = CC = C2C (= O) NC = C2C = C2C = C2C (C2
Inchi
Inchi = 1S / C30H29FN2O7 / C1-37-22-12-8-20 (9-13-22) 30 (19-6-4 3-19-201- (40-24/10.00--2 am Joer 3,6-
-17-16-25 (32 € 32-29 (33) 36 / H3-17-17.20.26-280h, 18h2.330, 18h2,1,330, 18h3,1,1 0 Joer))
Inchi Schlëssel
Cssfzzzxoccjb-yuloidqlsa-n
1 aneren Numm fir dës Substanz
5'-O- [BI (4-Methodyphonyl) Phenylmthyl] -2' -2' -'-Deoxy-2'-Fluorrouridine (ACI)
Eegeschafte verfügbar
Thermesch
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Schmëlzpunkt | 118-120 ° C | (1) Cas |
(1) Penjarla, srishylam; Nukleods, Canleotiden & Käre-Säuren, (2018), 37 (4), 232-247, Capplangus
Spektre verfügbar
1h nmr
13c nmr
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 35880 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 3570 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 3430 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2500 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 689 | 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 | 12200 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 12200 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 12200 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 12200 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 12200 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 12200 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 12100 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 11700 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 8480 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 2340 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.98 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.966 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.82 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4,26 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 9.9 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.4 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.0 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Massebelibilitéit | 9.9 x 10-5 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 1,8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2,5 x 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 9.2 x 10-7 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,8 x 10-7 mol / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 548.56 | ||
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 | 1.38 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 395.8 ± 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 | 10 | (1) ACD | |
H Akzeptoren | 9 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 11 | (1) ACD | |
AloggenO Aloggen | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 548.56 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 107 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr