ChemSpider 2D Image | (2beta,3beta,5alpha,6beta,25R)-Spirostan-2,3,6-triol | C27H44O5

(2β,3β,5α,6β,25R)-Spirostan-2,3,6-triol

  • Molecular FormulaC27H44O5
  • Average mass448.635 Da
  • Monoisotopic mass448.318878 Da
  • ChemSpider ID23339607
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(2β,3β,5α,6β,25R)-Spirostan-2,3,6-triol [ACD/IUPAC Name]
(2β,3β,5α,6β,25R)-Spirostan-2,3,6-triol [German] [ACD/IUPAC Name]
(2β,3β,5α,6β,25R)-Spirostan-2,3,6-triol [French] [ACD/IUPAC Name]
196607-75-7 [RN]
Spirostan-2,3,6-triol, (2β,3β,5α,6β,25R)- [ACD/Index Name]
(25R)-5α-spirostan-2β,3β,6β-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512238/
Porrigenin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.13
ACD/KOC (pH 5.5): 1375.28
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.13
ACD/KOC (pH 7.4): 1375.28
Polar Surface Area: 79 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 370.1±5.0 cm3

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