ChemSpider 2D Image | (3alpha,9xi,14xi,25R)-Spirostan-3-yl valerate | C32H52O4

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

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID17463091

  • 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 valerate [ACD/IUPAC Name]
(3α,9ξ,14ξ,25R)-Spirostan-3-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, (3α,9ξ,14ξ,25R)-spirostan-3-yl ester [ACD/Index Name]
Valérate de (3α,9ξ,14ξ,25R)-spirostan-3-yle [French] [ACD/IUPAC 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: 562.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 233.5±21.8 °C
Index of Refraction: 1.534
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 694290.63
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 694290.63
Polar Surface Area: 45 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 460.4±5.0 cm3

Click to predict properties on the Chemicalize site


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