ChemSpider 2D Image | (3beta,5alpha,6beta,25R)-3,6-Dihydroxyspirostan-2-one | C27H42O5

(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-2-one

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID23339608

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-2-on [German] [ACD/IUPAC Name]
(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-2-one [ACD/IUPAC Name]
(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-2-one [French] [ACD/IUPAC Name]
Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466376/
Porrigenin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 190.6±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.54
ACD/KOC (pH 5.5): 1036.13
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.54
ACD/KOC (pH 7.4): 1036.12
Polar Surface Area: 76 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 369.0±5.0 cm3

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