ChemSpider 2D Image | (2alpha,3beta,5alpha,11beta,12alpha)-2,11-Dihydroxy-4,4-dimethyl-3-(sulfooxy)ergosta-8,14,24(28)-trien-12-yl acetate | C32H50O8S

(2α,3β,5α,11β,12α)-2,11-Dihydroxy-4,4-dimethyl-3-(sulfooxy)ergosta-8,14,24(28)-trien-12-yl acetate

  • Molecular FormulaC32H50O8S
  • Average mass594.800 Da
  • Monoisotopic mass594.322632 Da
  • ChemSpider ID404858

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β,5α,11β,12α)-2,11-Dihydroxy-4,4-dimethyl-3-(sulfooxy)ergosta-8,14,24(28)-trien-12-yl acetate [ACD/IUPAC Name]
(2α,3β,5α,11β,12α)-2,11-Dihydroxy-4,4-dimethyl-3-(sulfooxy)ergosta-8,14,24(28)-trien-12-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3β,5α,11β,12α)-2,11-dihydroxy-4,4-diméthyl-3-(sulfooxy)ergosta-8,14,24(28)-trién-12-yle [French] [ACD/IUPAC Name]
Ergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 4,4-dimethyl-, 12-acetate 3-(hydrogen sulfate), (2α,3β,5α,11β,12α)- [ACD/Index Name]
CHEMBL446297
Ergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 4,4-dimethyl-, 12-acetate 3-(hydrogen sulfate), (2α,3β,5α,11β,12α)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446297/
Integracide A
L-681512-1

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

A-108835 [DBID]
AIDS022528 [DBID]
AIDS-022528 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 157.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 7.00
Polar Surface Area: 139 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 483.2±5.0 cm3

Click to predict properties on the Chemicalize site


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