ChemSpider 2D Image | Methyl (3alpha,5beta,7alpha,12alpha)-3-acetoxy-7,12-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cholan-24-oate | C37H62N2O8

Methyl (3α,5β,7α,12α)-3-acetoxy-7,12-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cholan-24-oate

  • Molecular FormulaC37H62N2O8
  • Average mass662.897 Da
  • Monoisotopic mass662.450623 Da
  • ChemSpider ID9149572

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,12α)-3-Acétoxy-7,12-bis({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-(acetyloxy)-7,12-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (3α,5β,7α,12α)- [ACD/Index Name]
Methyl (3α,5β,7α,12α)-3-acetoxy-7,12-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cholan-24-oate [ACD/IUPAC Name]
Methyl-(3α,5β,7α,12α)-3-acetoxy-7,12-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cholan-24-oat [German] [ACD/IUPAC Name]
Methyl 3α-acetoxy-7α,12α-di[N-(t-butyloxycarbonyl)amino]-5β-cholan-24-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 159968.97
ACD/KOC (pH 5.5): 184767.42
ACD/LogD (pH 7.4): 7.15
ACD/BCF (pH 7.4): 159963.88
ACD/KOC (pH 7.4): 184761.55
Polar Surface Area: 129 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 589.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement