ChemSpider 2D Image | (9beta)-29-Hydroxy-3,23-dioxo-9,19-cyclolanostan-28-yl hydrogen sulfate | C30H48O7S

(9β)-29-Hydroxy-3,23-dioxo-9,19-cyclolanostan-28-yl hydrogen sulfate

  • Molecular FormulaC30H48O7S
  • Average mass552.763 Da
  • Monoisotopic mass552.312073 Da
  • ChemSpider ID9795701

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(9β)-29-Hydroxy-3,23-dioxo-9,19-cyclolanostan-28-yl hydrogen sulfate [ACD/IUPAC Name]
(9β)-29-Hydroxy-3,23-dioxo-9,19-cyclolanostan-28-ylhydrogensulfat [German] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,23-dione, 29-hydroxy-28-(sulfooxy)-, (9β)- [ACD/Index Name]
Hydrogénosulfate de (9β)-29-hydroxy-3,23-dioxo-9,19-cyclolanostan-28-yle [French] [ACD/IUPAC Name]
capisterone B

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: 1.565
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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