ChemSpider 2D Image | (1beta,3alpha,12beta,24R)-1,12,25-Trihydroxy-20,24-epoxydammaran-3-yl acetate | C32H54O6

(1β,3α,12β,24R)-1,12,25-Trihydroxy-20,24-epoxydammaran-3-yl acetate

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID9927683

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3α,12β,24R)-1,12,25-Trihydroxy-20,24-epoxydammaran-3-yl acetate [ACD/IUPAC Name]
(1β,3α,12β,24R)-1,12,25-Trihydroxy-20,24-epoxydammaran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,3α,12β,24R)-1,12,25-trihydroxy-20,24-époxydammaran-3-yle [French] [ACD/IUPAC Name]
Dammarane-1,3,12,25-tetrol, 20,24-epoxy-, 3-acetate, (1β,3α,12β,24R)- [ACD/Index Name]
rel-(20S,24R)-epoxy-3α-acetoxy-1β,12β,25-trihydroxydammarane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 180.8±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2641.95
ACD/KOC (pH 5.5): 9795.11
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2641.95
ACD/KOC (pH 7.4): 9795.11
Polar Surface Area: 96 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 465.5±5.0 cm3

Click to predict properties on the Chemicalize site


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