ChemSpider 2D Image | (2alpha,3beta,12alpha,24R)-2,3,12,21,24,25-Hexahydroxylanost-8-en-7-one | C30H50O7

(2α,3β,12α,24R)-2,3,12,21,24,25-Hexahydroxylanost-8-en-7-one

  • Molecular FormulaC30H50O7
  • Average mass522.714 Da
  • Monoisotopic mass522.355652 Da
  • ChemSpider ID30810922

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3β,12α,24R)-2,3,12,21,24,25-Hexahydroxylanost-8-en-7-on [German] [ACD/IUPAC Name]
(2α,3β,12α,24R)-2,3,12,21,24,25-Hexahydroxylanost-8-en-7-one [ACD/IUPAC Name]
(2α,3β,12α,24R)-2,3,12,21,24,25-Hexahydroxylanost-8-én-7-one [French] [ACD/IUPAC Name]
Lanost-8-en-7-one, 2,3,12,21,24,25-hexahydroxy-, (2α,3β,12α,24R)- [ACD/Index Name]
fasciculol M

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 400.3±29.4 °C
Index of Refraction: 1.582
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 159.95
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.42
ACD/KOC (pH 7.4): 159.95
Polar Surface Area: 138 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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