ChemSpider 2D Image | (3alpha,4beta,5alpha,6alpha,7beta,14beta,22S,24xi)-3,4,6,7,29-Pentahydroxy-22,29-epoxystigmastan-15-one | C29H48O7

(3α,4β,5α,6α,7β,14β,22S,24ξ)-3,4,6,7,29-Pentahydroxy-22,29-epoxystigmastan-15-one

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID8133542
  • defined stereocentres - 13 of 15 defined stereocentres


More details:






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

(3α,4β,5α,6α,7β,14β,22S,24ξ)-3,4,6,7,29-Pentahydroxy-22,29-epoxystigmastan-15-on [German] [ACD/IUPAC Name]
(3α,4β,5α,6α,7β,14β,22S,24ξ)-3,4,6,7,29-Pentahydroxy-22,29-epoxystigmastan-15-one [ACD/IUPAC Name]
(3α,4β,5α,6α,7β,14β,22S,24ξ)-3,4,6,7,29-Pentahydroxy-22,29-époxystigmastan-15-one [French] [ACD/IUPAC Name]
Stigmastan-15-one, 22,29-epoxy-3,4,6,7,29-pentahydroxy-, (3α,4β,5α,6α,7β,14β,22S,24ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±6.0 kJ/mol
Flash Point: 205.4±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.05
ACD/KOC (pH 5.5): 218.83
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.05
ACD/KOC (pH 7.4): 218.83
Polar Surface Area: 127 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

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