ChemSpider 2D Image | (3beta,8alpha,17beta,22S,25R)-3-Hydroxyspirost-5-en-7-one | C27H40O4

(3β,8α,17β,22S,25R)-3-Hydroxyspirost-5-en-7-one

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID114813474

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,8α,17β,22S,25R)-3-Hydroxyspirost-5-en-7-on [German] [ACD/IUPAC Name]
(3β,8α,17β,22S,25R)-3-Hydroxyspirost-5-en-7-one [ACD/IUPAC Name]
(3β,8α,17β,22S,25R)-3-Hydroxyspirost-5-én-7-one [French] [ACD/IUPAC Name]
Spirost-5-en-7-one, 3-hydroxy-, (3β,8α,17β,22S,25R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 185.9±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.55
ACD/KOC (pH 5.5): 2735.19
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.55
ACD/KOC (pH 7.4): 2735.19
Polar Surface Area: 56 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 363.7±5.0 cm3

Click to predict properties on the Chemicalize site


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