ChemSpider 2D Image | (3beta,25R)-Spirosol-5-en-3-ol | C27H43NO2

(3β,25R)-Spirosol-5-en-3-ol

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID24534156

  • 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-ol [ACD/IUPAC Name]
(3β,25R)-Spirosol-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,25R)-Spirosol-5-én-3-ol [French] [ACD/IUPAC Name]
Spirosol-5-en-3-ol, (3β,25R)- [ACD/Index Name]
126-17-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514596/
Solasodine [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 14.71
ACD/KOC (pH 5.5): 36.69
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 482.88
ACD/KOC (pH 7.4): 1204.46
Polar Surface Area: 41 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

Click to predict properties on the Chemicalize site


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