ChemSpider 2D Image | halistanol sulfate | C29H52O12S3

halistanol sulfate

  • Molecular FormulaC29H52O12S3
  • Average mass688.911 Da
  • Monoisotopic mass688.262085 Da
  • ChemSpider ID66089

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2β,3α,5α,6α)-25-Methylergostan-2,3,6-triyltris(hydrogensulfat) [German] [ACD/IUPAC Name]
(2β,3α,5α,6α)-25-Methylergostane-2,3,6-triyl tris(hydrogen sulfate) [ACD/IUPAC Name]
103065-20-9 [RN]
Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)
Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), (2β,3α,5α,6α)- [ACD/Index Name]
halistanol sulfate
Tris(hydrogénosulfate) de (2β,3α,5α,6α)-25-méthylergostane-2,3,6-triyle [French] [ACD/IUPAC Name]
24,25-Dimethylcholestane-2,3,6-triol, tris(hydrogen sulfate), (2β,3α,6α)
Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), (2β,3α,5α,6α,24ζ)-
Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), 2β,3α,5α,6α)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS005941 [DBID]
AIDS-005941 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.27
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 501.5±5.0 cm3

Click to predict properties on the Chemicalize site


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