ChemSpider 2D Image | (1alpha,3beta,11alpha)-3,11,18-Trihydroxyergosta-5,24(28)-dien-1-yl acetate | C30H48O5

(1α,3β,11α)-3,11,18-Trihydroxyergosta-5,24(28)-dien-1-yl acetate

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID40256810

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,11α)-3,11,18-Trihydroxyergosta-5,24(28)-dien-1-yl acetate [ACD/IUPAC Name]
(1α,3β,11α)-3,11,18-Trihydroxyergosta-5,24(28)-dien-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,11α)-3,11,18-trihydroxyergosta-5,24(28)-dién-1-yle [French] [ACD/IUPAC Name]
Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 1-acetate, (1α,3β,11α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 184.6±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2323.90
ACD/KOC (pH 5.5): 8935.83
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2323.90
ACD/KOC (pH 7.4): 8935.83
Polar Surface Area: 87 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 433.5±5.0 cm3

Click to predict properties on the Chemicalize site


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