ChemSpider 2D Image | (1alpha,3beta,11alpha)-3-Acetoxy-1,11-dihydroxyergosta-5,24(28)-dien-18-oic acid | C30H46O6

(1α,3β,11α)-3-Acetoxy-1,11-dihydroxyergosta-5,24(28)-dien-18-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID167184

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,11α)-3-Acetoxy-1,11-dihydroxyergosta-5,24(28)-dien-18-oic acid [ACD/IUPAC Name]
(1α,3β,11α)-3-Acetoxy-1,11-dihydroxyergosta-5,24(28)-dien-18-säure [German] [ACD/IUPAC Name]
Acide (1α,3β,11α)-3-acétoxy-1,11-dihydroxyergosta-5,24(28)-dién-18-oïque [French] [ACD/IUPAC Name]
Ergosta-5,24(28)-dien-18-oic acid, 3-(acetyloxy)-1,11-dihydroxy-, (1α,3β,11α)- [ACD/Index Name]
153698-90-9 [RN]
24-Methylene-1α,3β,11α-trihydroxycholest-5-ene-18-oic acid-3-acetate
sinulabosterol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 195.6±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 238.67
ACD/KOC (pH 5.5): 868.40
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 13.73
Polar Surface Area: 104 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

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