ChemSpider 2D Image | heterofuscesterol A | C29H50O6

heterofuscesterol A

  • Molecular FormulaC29H50O6
  • Average mass494.704 Da
  • Monoisotopic mass494.360748 Da
  • ChemSpider ID101935299

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,5α,6β,11α,15α,17ξ,20R,23R)-23-Methyl-14,15-epoxyergostan-3,5,6,11,20-pentol [German] [ACD/IUPAC Name]
(3β,5α,6β,11α,15α,17ξ,20R,23R)-23-Methyl-14,15-epoxyergostane-3,5,6,11,20-pentol [ACD/IUPAC Name]
(3β,5α,6β,11α,15α,17ξ,20R,23R)-23-Méthyl-14,15-époxyergostane-3,5,6,11,20-pentol [French] [ACD/IUPAC Name]
Ergostane-3,5,6,11,20-pentol, 14,15-epoxy-23-methyl-, (3β,5α,6β,11α,15α,17ξ,20R,23R)- [ACD/Index Name]
heterofuscesterol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.90
ACD/KOC (pH 5.5): 800.69
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.90
ACD/KOC (pH 7.4): 800.69
Polar Surface Area: 114 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

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