ChemSpider 2D Image | (3beta)-spirost-5-en-3-yl acetate | C29H44O4

(3β)-spirost-5-en-3-yl acetate

  • Molecular FormulaC29H44O4
  • Average mass456.657 Da
  • Monoisotopic mass456.323975 Da
  • ChemSpider ID71081526

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3β)-spirost-5-en-3-yl acetate
(3β,16β)-Spirost-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,16β)-Spirost-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,16β)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Spirost-5-en-3-ol, acetate, (3β,16β)- [ACD/Index Name]
(3b)-spirost-5-en-3-yl acetate
1061-54-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 225.9±30.2 °C
Index of Refraction: 1.550
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47092.91
ACD/KOC (pH 5.5): 76998.84
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47092.91
ACD/KOC (pH 7.4): 76998.84
Polar Surface Area: 45 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

Click to predict properties on the Chemicalize site


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