ChemSpider 2D Image | (3beta,5alpha,12beta,25R)-Spirostan-3,12-diyl diacetate | C31H48O6

(3β,5α,12β,25R)-Spirostan-3,12-diyl diacetate

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID8824907

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,12β,25R)-Spirostan-3,12-diyl diacetate [ACD/IUPAC Name]
(3β,5α,12β,25R)-Spirostan-3,12-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3β,5α,12β,25R)-spirostan-3,12-diyle [French] [ACD/IUPAC Name]
Spirostan-3,12-diol, diacetate, (3β,5α,12β,25R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3391769/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 237.3±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21171.16
ACD/KOC (pH 5.5): 43446.45
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21171.16
ACD/KOC (pH 7.4): 43446.45
Polar Surface Area: 71 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

Click to predict properties on the Chemicalize site


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