ChemSpider 2D Image | (5xi,6alpha,8xi,9xi,10xi,13xi,17xi,20xi,23E)-25-Hydroperoxylanost-23-ene-3,6,12,20-tetrol | C30H52O6

(5ξ,6α,8ξ,9ξ,10ξ,13ξ,17ξ,20ξ,23E)-25-Hydroperoxylanost-23-ene-3,6,12,20-tetrol

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9354823
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 11 defined stereocentres


More details:






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

(5ξ,6α,8ξ,9ξ,10ξ,13ξ,17ξ,20ξ,23E)-25-Hydroperoxylanost-23-en-3,6,12,20-tetrol [German] [ACD/IUPAC Name]
(5ξ,6α,8ξ,9ξ,10ξ,13ξ,17ξ,20ξ,23E)-25-Hydroperoxylanost-23-ene-3,6,12,20-tetrol [ACD/IUPAC Name]
(5ξ,6α,8ξ,9ξ,10ξ,13ξ,17ξ,20ξ,23E)-25-Hydroperoxylanost-23-ène-3,6,12,20-tétrol [French] [ACD/IUPAC Name]
Lanost-23-ene-3,6,12,20-tetrol, 25-hydroperoxy-, (5ξ,6α,8ξ,9ξ,10ξ,13ξ,17ξ,20ξ,23E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 342.9±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2170.93
ACD/KOC (pH 5.5): 8510.76
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2170.90
ACD/KOC (pH 7.4): 8510.61
Polar Surface Area: 110 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 445.6±3.0 cm3

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