C34H39n3o8 Cytidine, 5'-O- Ow (4-Methodylyl) Phenylthylyl] -2'-O- (2-Mönchel)
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 617.69 | - |
Kachpunkt (virausgesot) | 762.6 ± 70,0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 1.27 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 13.31 ± 0.70 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C1N = C (N) C (= CN1C2OC (CC = 3C = CC = CC3) C & OC = CC = CC = CC = CC = CC = CC = CC = CC = OC4) C
ISOMRIC SMILE C (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = C2C) N2C = CC = CC = OC3) C = C3) (CC = CI
Inchi
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3) 15-11-24) 25-12-16--27 (42-4) 17-, 30---- M1,20,20,20000
Inchi Schlëssel
Lyktvjjxzqtnpk-pbamlimusa-n
24 aner Nimm fir dës Substanz
5'-O- [4-Methodyphonyl) Phenylthyl] -2'-O- (2-Mountcylyl) -5 -5lylcyclett (ACI); 11: PN: US20030170636 Page: 17 behaapt RNA; 12: PN: US20030211606 Page: 18 behaapt R NA; 12: Pn: US20030212017 Säit: 19 behaapt R NA; 14: PN: US20040005569 PAG E: 21 behaapt R NA; 15: PN: US200400056565 Page: 17- 32 Fuerderung RNA; 15: PN: US20040005570 Säit: 19 behaapt R NA; 15: PN: U S20040006030 Page: 22 behaapt R NA; 15: PN: US20040014048 Säit: 19 behaapt R NA; 16: Pn: US200301771313 Säit: 9 Fuerderung RNA; 16: Pn: US20030198965 Säit: 19 behaapt R NA; 16: PN: US20040014047 Page: 19 behaapt R NA; 16: Pn: US20040014049 Säit:
19 behaapt RNA; 17: PN: US200400140516 Page: 21 behaapt R NA; 17: PN: US20040014699 Page: 19 behaapt R NA; 17: PN: W
O03106645 Page: 69 Fuerderung R NA; 18: PN: US20040006029 Page: 22 behaapt R NA; 2'-O-Catecillyl-5'-O-DimethoxytityL-5- Methylytidine; 58: PN: US2003016592 Page: 15 behaapt R NA; 5: PN: WO2005006958 Page: 61 behaapt R NA; 7: Pn: Wo20050 07825 Page: 61 behaapt R NA; 82: PN: US20040171566 Page: 18 behaapt R NA; 89: PN: US20040005707 Säit: 19 behaapt R NA; 9: PN: Wo03084478 Säit: 56 Fuerderung R Na
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Thermesch |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 1.56 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.99 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6.19 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 8. n8.0 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 116 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 146 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | Gären 150 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 151 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 151 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 151 | 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 | 13.0 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 16.6 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 51,8 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 318 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 966 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 1260 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 1260 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 1260 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 1.18 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 1.29 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 1.78 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.16 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.177 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.177 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.177 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.177 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 5.2 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,51 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,40 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,020 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 6.8 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.4 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.2 x 10-3 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.2 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.2 x 10-3 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.3 x 10-3 g / l | Ongebonnen Waasser ph 7,05; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 8.4 X 10-6 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.2 X 10-4 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.4 x 10-4 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.1 x 10-4 Mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.3 x 10-5 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.1 x 10-5 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 8.7 x 10-6 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.5 X 10-6 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.4 X 10-6 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.4 X 10-6 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.4 X 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.5 X 10-6 MOL / L | Ongebonnen Waasser ph 7,05; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 617.69 | ||
paka | 13.31 ± 0.70 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 4.58 ± 0,100 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 1.89 x 10-24 Torr | Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 1.27 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 483.8 ± 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 | 14 | (1) ACD | |
H Akzeptoren | 11 | (1) ACD | |
H Donateuren | 3 | (1) ACD | |
H Spender / Acceptor Zomm | 14 | (1) ACD | |
AloggenO Aloggen | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 617.69 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 134 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kachendepunkt | 762.6 ± 70,0 ° C | Press: 760 Torr | (1) ACD |
Enthalpie vu Vaporization | 116.53 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Point | 41.0 ± 35.7 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr