ChemSpider 2D Image | (3alpha,5beta,7alpha,12alpha,24R,25R)-24,26-Epoxycholestane-3,7,12,27-tetrayl tetraacetate | C35H54O9

(3α,5β,7α,12α,24R,25R)-24,26-Epoxycholestane-3,7,12,27-tetrayl tetraacetate

  • Molecular FormulaC35H54O9
  • Average mass618.798 Da
  • Monoisotopic mass618.376770 Da
  • ChemSpider ID24742086

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5β,7α,12α,24R,25R)-24,26-Epoxycholestan-3,7,12,27-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,24R,25R)-24,26-Epoxycholestane-3,7,12,27-tetrayl tetraacetate [ACD/IUPAC Name]
Cholestane-3,7,12,26-tetrol, 24,27-epoxy-, tetraacetate, (3α,5β,7α,12α,24R,25R)- [ACD/Index Name]
Tetraacétate de (3α,5β,7α,12α,24R,25R)-24,26-époxycholestane-3,7,12,27-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 258.3±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16180.45
ACD/KOC (pH 5.5): 35841.22
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16180.45
ACD/KOC (pH 7.4): 35841.22
Polar Surface Area: 114 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 530.2±5.0 cm3

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