ChemSpider 2D Image | (3beta,25R)-Spirosol-5-en-3-yl acetate | C29H45NO3

(3β,25R)-Spirosol-5-en-3-yl acetate

  • Molecular FormulaC29H45NO3
  • Average mass455.672 Da
  • Monoisotopic mass455.339935 Da
  • ChemSpider ID24692143

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,25R)-Spirosol-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,25R)-Spirosol-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,25R)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
Spirosol-5-en-3-ol, acetate (ester), (3β,25R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463765/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 60.62
ACD/KOC (pH 5.5): 101.45
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 2018.00
ACD/KOC (pH 7.4): 3377.22
Polar Surface Area: 48 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 406.1±5.0 cm3

Click to predict properties on the Chemicalize site


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