ChemSpider 2D Image | (1alpha,3beta,4beta,5beta,25S)-Spirostan-1,3,4,5-tetrol | C27H44O6

(1α,3β,4β,5β,25S)-Spirostan-1,3,4,5-tetrol

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID68024101
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(1α,3β,4β,5β,25S)-Spirostan-1,3,4,5-tetrol [German] [ACD/IUPAC Name]
(1α,3β,4β,5β,25S)-Spirostan-1,3,4,5-tetrol [ACD/IUPAC Name]
(1α,3β,4β,5β,25S)-Spirostan-1,3,4,5-tétrol [French] [ACD/IUPAC Name]
Spirostan-1,3,4,5-tetrol, (1α,3β,4β,5β,25S)- [ACD/Index Name]
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,17S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,17,18-tetrol
(25S)-5β-Spirostane-1β,3β,4β,5-tetrol
(25S)-5β-Spirostane-1β,3β,4β,5-tetrol
(25S)-spirostan-1β,3β,4β,5β-tetrol
17934-59-7 [RN]
Convallagenin B
More...

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: 3.27
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.63
ACD/KOC (pH 5.5): 951.09
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.62
ACD/KOC (pH 7.4): 951.09
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






Advertisement