ChemSpider 2D Image | (3alpha,9xi,14xi,25R)-Spirostan-3-yl hexanoate | C33H54O4

(3α,9ξ,14ξ,25R)-Spirostan-3-yl hexanoate

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID17463710

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(3α,9ξ,14ξ,25R)-Spirostan-3-yl hexanoate [ACD/IUPAC Name]
(3α,9ξ,14ξ,25R)-Spirostan-3-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (3α,9ξ,14ξ,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (3α,9ξ,14ξ,25R)-spirostan-3-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 237.1±21.8 °C
Index of Refraction: 1.533
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1349542.50
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1349542.50
Polar Surface Area: 45 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 476.4±5.0 cm3

Click to predict properties on the Chemicalize site


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