ChemSpider 2D Image | (3beta,8alpha,25R)-Spirost-5-en-3-yl hexanoate | C33H52O4

(3β,8α,25R)-Spirost-5-en-3-yl hexanoate

  • Molecular FormulaC33H52O4
  • Average mass512.764 Da
  • Monoisotopic mass512.386536 Da
  • ChemSpider ID30829338

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,8α,25R)-Spirost-5-en-3-yl hexanoate [ACD/IUPAC Name]
(3β,8α,25R)-Spirost-5-en-3-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (3β,8α,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (3β,8α,25R)-spirost-5-en-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: 580.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 240.8±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 8.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1028871.31
ACD/LogD (pH 7.4): 8.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1028871.31
Polar Surface Area: 45 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 469.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement