ChemSpider 2D Image | (3beta,5alpha,20beta,22alpha,23S,25S)-Spirosolane-3,23,27-triol | C27H45NO4

(3β,5α,20β,22α,23S,25S)-Spirosolane-3,23,27-triol

  • Molecular FormulaC27H45NO4
  • Average mass447.651 Da
  • Monoisotopic mass447.334869 Da
  • ChemSpider ID26361687

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,20β,22α,23S,25S)-Spirosolan-3,23,27-triol [German] [ACD/IUPAC Name]
(3β,5α,20β,22α,23S,25S)-Spirosolane-3,23,27-triol [ACD/IUPAC Name]
(3β,5α,20β,22α,23S,25S)-Spirosolane-3,23,27-triol [French] [ACD/IUPAC Name]
Spirosolane-3,23,27-triol, (3β,5α,20β,22α,23S,25S)- [ACD/Index Name]
ESCULEOGENIN A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 322.6±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 26.29
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 114.22
ACD/KOC (pH 7.4): 879.67
Polar Surface Area: 82 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 370.9±5.0 cm3

Click to predict properties on the Chemicalize site


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