C34H39n3o8 Cytidine, 5'-o- [bis (4-methovhyPhenyl) fenylmethyl] -2'-o- (2-methox yetyl) -5-methyl- (9ci, aci)
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 617.69 | - |
Siedend punt (foarsizze) | 762.6 ± 70,,, ° C | Parse: 760 Torr |
Tichtheid (foarsizze) | 1,27 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
PKA (foarsizze) | 13.31 ± 0,70 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c (= cn1c2oc (= cn1c2oc (cc = cc = c (cv = c = c = c (cv = c (c5) c = c5) c (o) c2occoc) c
Isomeryske glimket C (OC [C @ h] 1O [C @ h] (Occoc) (Occoc) 1o) N2C (= C (CC = c (c4 = c (c4) c = c = c = c00 = cc = cv = c5
Inchi
Inchi = 1s / c34h31n3o8 / c1-22-20-37 (33 (39) 32-31 (22) 35-40 (43) 28 (35) 28 (45-31 (23-8-6-5-9-23,24-14-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25 / H5-17,20.28-30,32,38h, 18-19,21h2,1-4h3, (h2,35,36,39) / T28-, 29-, 30-, 32- / m1 / s1
Inchi-kaai
Lykvjjxzqtnpk-pbamlimusa-n
24 oare nammen foar dizze substansje
5'-o- [bis (4-methovyPhenyl) fenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (aci); 11: PN: US20030170636 Side: 17 opeaske RNA; 12: PN: US20030211606 Side: 18 opeaske r na; 12: PN: US20030212017 Side: 19 easke r na; 14: PN: US20040005569 PAG E: 21, bewearden R Na; 15: PN: US20040005565 Side: 17- 22 opeaske RNA; 15: PN: US20040005570 Side: 19 opeaske r na; 15: PN: U S20040006030 Side: 22 opeaske r na; 15: PN: US20040014048 Side: 19 easke r na; 16: Pn: US20030171313 Pagina: 9 opeaske RNA; 16: Pn: US20030198965 Side: 19 easke r na; 16: PN: US20040014047 Side: 19 opeaske r na; 16: PN: US20040014049 Side:
19 opeaske RNA; 17: PN: US20040014051 Side: 21 opeaske r na; 17: pn: US20040014699 Side: 19% opeaske r na; 17: pn: W
O03106645 Side: 69 easke r na; 18: pn: US20040006029 pagina: 22 bewearden r na; 2'-o-methoxyethyl-5'-o-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Side: 15 opeaske r na; 5: pn: Wo2005006958 Side: 61 easke r na; 7: PN: Wo20050 07825 Side: 61 easke r na; 82: PN: US20040171566 Side: 18 opeaske r na; 89: PN: US20040005707 Side: 19 easke r na; 9: pn: Wo03084478 Side: 56 opeaske r na
Eigenskippen beskikber |
Biologysk |
Gemysk |
Densheid |
Lipinski |
Struktuer relatearre |
Thermal |
Biologysk
Besit | Wearde | Betingst | Boarne |
Bioconcentration Factor | 1.56 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1,99 | pH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 6.19 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 38.0 | pH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 116 | pH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 146 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 150 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
Besit | Wearde | Betingst | Boarne |
Koc | 13.0 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 16.6 | pH 2; Temp: 25 ° C | (1) ACD |
Koc | 51.8 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 318 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 966 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Koc | 1260 | pH 8; Temp: 25 ° C | (1) ACD |
Koc | 1260 | pH 9; Temp: 25 ° C | (1) ACD |
Koc | 1260 | pH 10; Temp: 25 ° C | (1) ACD |
Logd | 1.18 | pH 1; Temp: 25 ° C | (1) ACD |
Logd | 1.29 | pH 2; Temp: 25 ° C | (1) ACD |
Logd | 1.78 | pH 3; Temp: 25 ° C | (1) ACD |
Logd | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
Logd | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
Logd | 3,16 | pH 6; Temp: 25 ° C | (1) ACD |
Logd | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
Logd | 3.17 | pH 8; Temp: 25 ° C | (1) ACD |
Logd | 3.17 | pH 9; Temp: 25 ° C | (1) ACD |
Logd | 3.17 | pH 10; Temp: 25 ° C | (1) ACD |
Logp | 3.1769 ± 0.598 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 5,2 x 10-3 g / L | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0,51 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0,40 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0.13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0,020 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 6,8 x 10-3 G / L | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,4 x 10-3 G / L | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,2 x 10-3 g / L | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,2 x 10-3 g / L | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,2 x 10-3 g / L | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5.3 x 10-3 g / l | Unbuffered wetter pH 7.05; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 8,4 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,2 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.4 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2.1 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3.3 x 10-5 mol / L | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1.1 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Milarlabiliteit | 8,7 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,5 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,4 x 10-6 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,4 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,4 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 8,5 x 10-6 mol / l | Unbuffered wetter pH 7.05; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 617.69 | ||
pka | 13.31 ± 0,70 | Meast Acidic Temp: 25 ° C | (1) ACD |
pka | 4.58 ± 0.10 | Meast basic temp: 25 ° C | (1) ACD |
Dampdruk | 1.89 x 10-24 torr | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
Besit | Wearde | Betingst | Boarne |
Densheid | 1,27 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
Molar volume | 483.8 ± 7,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
Besit | Wearde | Betingst | Boarne |
Frij rotatbere bonnen | 14 | (1) ACD | |
H akseptearders | 11 | (1) ACD | |
H Donors | 3 | (1) ACD | |
H Donor / akseptearje SUM | 14 | (1) ACD | |
Logp | 3.1769 ± 0.598 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 617.69 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
Polar oerflak | 134 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Thermal
Besit | Wearde | Betingst | Boarne |
Siedpunt | 762.6 ± 70,,, ° C | Parse: 760 Torr | (1) ACD |
Enthalpy fan Vaporization | 116.53 ± 3.0 kj / mol | Parse: 760 Torr | (1) ACD |
Flash Point | 415.0 ± 35,7 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR