ChemSpider 2D Image | (3beta,6alpha,7beta,8xi,9xi,14xi,24xi)-3,6,7,28-Tetrahydroxystigmastan-15-one | C29H50O5

(3β,6α,7β,8ξ,9ξ,14ξ,24ξ)-3,6,7,28-Tetrahydroxystigmastan-15-one

  • Molecular FormulaC29H50O5
  • Average mass478.704 Da
  • Monoisotopic mass478.365814 Da
  • ChemSpider ID24534526
  • defined stereocentres - 6 of 13 defined stereocentres


More details:






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

(3β,6α,7β,8ξ,9ξ,14ξ,24ξ)-3,6,7,28-Tetrahydroxystigmastan-15-on [German] [ACD/IUPAC Name]
(3β,6α,7β,8ξ,9ξ,14ξ,24ξ)-3,6,7,28-Tetrahydroxystigmastan-15-one [ACD/IUPAC Name]
(3β,6α,7β,8ξ,9ξ,14ξ,24ξ)-3,6,7,28-Tétrahydroxystigmastan-15-one [French] [ACD/IUPAC Name]
Stigmastan-15-one, 3,6,7,28-tetrahydroxy-, (3β,6α,7β,8ξ,9ξ,14ξ,24ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 331.0±28.0 °C
Index of Refraction: 1.541
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.69
ACD/KOC (pH 5.5): 2003.10
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.69
ACD/KOC (pH 7.4): 2003.10
Polar Surface Area: 98 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 427.9±3.0 cm3

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