ChemSpider 2D Image | (2alpha,3beta,5alpha,6beta,25S)-Spirostan-2,3,5,6-tetrol | C27H44O6

(2α,3β,5α,6β,25S)-Spirostan-2,3,5,6-tetrol

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID113385322

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2α,3β,5α,6β,25S)-Spirostan-2,3,5,6-tetrol [German] [ACD/IUPAC Name]
(2α,3β,5α,6β,25S)-Spirostan-2,3,5,6-tetrol [ACD/IUPAC Name]
(2α,3β,5α,6β,25S)-Spirostan-2,3,5,6-tétrol [French] [ACD/IUPAC Name]
Spirostan-2,3,5,6-tetrol, (2α,3β,5α,6β,25S)- [ACD/Index Name]
(25S)-5α-spirostan-2α,3β,5α,6β-tetrol
Neoallilogenin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.89
ACD/KOC (pH 5.5): 720.09
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.89
ACD/KOC (pH 7.4): 720.09
Polar Surface Area: 99 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site


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