ChemSpider 2D Image | (3beta,5xi,6alpha,12beta,13xi,24S,25S)-25,26-Dihydroxy-20,24-epoxydammarane-3,6,12-triol | C30H52O6

(3β,5ξ,6α,12β,13ξ,24S,25S)-25,26-Dihydroxy-20,24-epoxydammarane-3,6,12-triol

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID8159352
  • defined stereocentres - 10 of 13 defined stereocentres


More details:






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

(3β,5ξ,6α,12β,13ξ,24S,25S)-25,26-Dihydroxy-20,24-epoxydammaran-3,6,12-triol [German] [ACD/IUPAC Name]
(3β,5ξ,6α,12β,13ξ,24S,25S)-25,26-Dihydroxy-20,24-epoxydammarane-3,6,12-triol [ACD/IUPAC Name]
(3β,5ξ,6α,12β,13ξ,24S,25S)-25,26-Dihydroxy-20,24-époxydammarane-3,6,12-triol [French] [ACD/IUPAC Name]
Dammarane-3,6,12-triol, 20,24-epoxy-25,26-dihydroxy-, (3β,5ξ,6α,12β,13ξ,24S,25S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.44
ACD/KOC (pH 5.5): 1330.53
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.44
ACD/KOC (pH 7.4): 1330.53
Polar Surface Area: 110 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

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