ChemSpider 2D Image | 13-Ethyl 5-methyl 10-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3,11-dioxo-1-phenyl-2-oxa-7,8-dithia-4,12-diazatridecane-5,13-dicarboxylate | C32H42N4O10S2

13-Ethyl 5-methyl 10-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3,11-dioxo-1-phenyl-2-oxa-7,8-dithia-4,12-diazatridecane-5,13-dicarboxylate

  • Molecular FormulaC32H42N4O10S2
  • Average mass706.827 Da
  • Monoisotopic mass706.234253 Da
  • ChemSpider ID296080

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10-[(2-{[(Benzyloxy)carbonyl]amino}-3-méthylbutanoyl)amino]-3,11-dioxo-1-phényl-2-oxa-7,8-dithia-4,12-diazatridécane-5,13-dicarboxylate de 13-éthyle et de 5-méthyle [French] [ACD/IUPAC Name]
13-Ethyl 5-methyl 10-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3,11-dioxo-1-phenyl-2-oxa-7,8-dithia-4,12-diazatridecane-5,13-dicarboxylate [ACD/IUPAC Name]
13-Ethyl-5-methyl-10-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3,11-dioxo-1-phenyl-2-oxa-7,8-dithia-4,12-diazatridecan-5,13-dicarboxylat [German] [ACD/IUPAC Name]
Ethyl 10-((2-(((benzyloxy)carbonyl)amino)-3-methylbutanoyl)amino)-5-(methoxycarbonyl)-3,11-dioxo-1-phenyl-2-oxa-7,8-dithia-4,12-diazatetradecan-14-oate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS129232 [DBID]
AIDS-129232 [DBID]
NSC338497 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 904.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.6±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 181.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3593.28
ACD/KOC (pH 5.5): 12207.11
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3588.02
ACD/KOC (pH 7.4): 12189.24
Polar Surface Area: 238 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 553.0±3.0 cm3

Click to predict properties on the Chemicalize site


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