ChemSpider 2D Image | (3beta,5beta,6alpha,8alpha,10alpha,13alpha,16beta,17alpha,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol | C30H50O5

(3β,5β,6α,8α,10α,13α,16β,17α,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID114391687

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β,6α,8α,10α,13α,16β,17α,24R)-20,24-Epoxy-9,19-cyclolanostan-3,6,16,25-tetrol [German] [ACD/IUPAC Name]
(3β,5β,6α,8α,10α,13α,16β,17α,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol [ACD/IUPAC Name]
(3β,5β,6α,8α,10α,13α,16β,17α,24R)-20,24-Époxy-9,19-cyclolanostane-3,6,16,25-tétrol [French] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, (3β,5β,6α,8α,10α,13α,16β,17α,24R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.34
ACD/KOC (pH 5.5): 3182.57
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.34
ACD/KOC (pH 7.4): 3182.57
Polar Surface Area: 90 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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