ChemSpider 2D Image | (3beta,22alpha,25R)-Spirosolan-3-ol | C27H45NO2

(3β,22α,25R)-Spirosolan-3-ol

  • Molecular FormulaC27H45NO2
  • Average mass415.652 Da
  • Monoisotopic mass415.345032 Da
  • ChemSpider ID62924991
  • defined stereocentres - 11 of 12 defined stereocentres


More details:






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

(3β,22α,25R)-Spirosolan-3-ol [German] [ACD/IUPAC Name]
(3β,22α,25R)-Spirosolan-3-ol [ACD/IUPAC Name]
(3β,22α,25R)-Spirosolan-3-ol [French] [ACD/IUPAC Name]
Spirosolan-3-ol, (3β,22α,25R)- [ACD/Index Name]
79464-64-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.7±23.2 °C
Index of Refraction: 1.560
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 17.09
ACD/KOC (pH 5.5): 40.73
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 553.27
ACD/KOC (pH 7.4): 1318.07
Polar Surface Area: 41 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 375.8±5.0 cm3

Click to predict properties on the Chemicalize site






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