ChemSpider 2D Image | Methyl (3alpha,5alpha,8alpha,9beta,10alpha,13alpha,15alpha,16alpha,17alpha)-3,16-diacetoxy-5-hydroxy-14,15-epoxyandrostane-17-carboxylate | C25H36O8

Methyl (3α,5α,8α,9β,10α,13α,15α,16α,17α)-3,16-diacetoxy-5-hydroxy-14,15-epoxyandrostane-17-carboxylate

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID113600681

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5α,8α,9β,10α,13α,15α,16α,17α)-3,16-Diacétoxy-5-hydroxy-14,15-époxyandrostane-17-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androstane-17-carboxylic acid, 3,16-bis(acetyloxy)-14,15-epoxy-5-hydroxy-, methyl ester, (3α,5α,8α,9β,10α,13α,15α,16α,17α)- [ACD/Index Name]
Methyl (3α,5α,8α,9β,10α,13α,15α,16α,17α)-3,16-diacetoxy-5-hydroxy-14,15-epoxyandrostane-17-carboxylate [ACD/IUPAC Name]
Methyl-(3α,5α,8α,9β,10α,13α,15α,16α,17α)-3,16-diacetoxy-5-hydroxy-14,15-epoxyandrostan-17-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 172.5±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 41.05
ACD/KOC (pH 5.5): 497.05
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 41.05
ACD/KOC (pH 7.4): 497.05
Polar Surface Area: 112 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement