ChemSpider 2D Image | (3beta,6alpha,12beta,20R)-Dammarane-3,6,12,20,25-pentol | C30H54O5

(3β,6α,12β,20R)-Dammarane-3,6,12,20,25-pentol

  • Molecular FormulaC30H54O5
  • Average mass494.747 Da
  • Monoisotopic mass494.397125 Da
  • ChemSpider ID62873167
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β,6α,12β,20R)-Dammaran-3,6,12,20,25-pentol [German] [ACD/IUPAC Name]
(3β,6α,12β,20R)-Dammarane-3,6,12,20,25-pentol [ACD/IUPAC Name]
(3β,6α,12β,20R)-Dammarane-3,6,12,20,25-pentol [French] [ACD/IUPAC Name]
Dammarane-3,6,12,20,25-pentol, (3β,6α,12β,20R)- [ACD/Index Name]
113539-03-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 257.5±26.1 °C
Index of Refraction: 1.542
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.15
ACD/KOC (pH 5.5): 3586.55
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.15
ACD/KOC (pH 7.4): 3586.55
Polar Surface Area: 101 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 445.6±3.0 cm3

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