ChemSpider 2D Image | 1-[(3beta,25R)-3-Hydroxyspirosol-5-en-28-yl]ethanone | C29H45NO3

1-[(3β,25R)-3-Hydroxyspirosol-5-en-28-yl]ethanone

  • Molecular FormulaC29H45NO3
  • Average mass455.672 Da
  • Monoisotopic mass455.339935 Da
  • ChemSpider ID24692183

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-[(3β,25R)-3-Hydroxyspirosol-5-en-28-yl]ethanon [German] [ACD/IUPAC Name]
1-[(3β,25R)-3-Hydroxyspirosol-5-en-28-yl]ethanone [ACD/IUPAC Name]
1-[(3β,25R)-3-Hydroxyspirosol-5-én-28-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3β,25R)-3-hydroxyspirosol-5-en-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463766/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7704.75
ACD/KOC (pH 5.5): 21073.25
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7704.78
ACD/KOC (pH 7.4): 21073.36
Polar Surface Area: 50 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

Click to predict properties on the Chemicalize site


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