C34H39n3o8 Cytidine, 5'-o- [bis (4-methovhyPhenyl) fenylmethyl] -2'-o- (2-methox yetyl) -5-methyl- (9ci, aci)

produkt

C34H39n3o8 Cytidine, 5'-o- [bis (4-methovhyPhenyl) fenylmethyl] -2'-o- (2-methox yetyl) -5-methyl- (9ci, aci)

Basisynformaasje:


Produkt detail

Produkt tags

Fysike eigenskippen

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

Oare nammen en identifisearders

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

Foarsichtich eigenskippen

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)

Foarseine spektra

Spectra te krijen
1h nmr
13C NMR


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