ChemSpider 2D Image | (3alpha,10xi,13alpha,17alpha)-19-Norpregn-4-en-20-yne-3,17-diyl diacetate | C24H32O4

(3α,10ξ,13α,17α)-19-Norpregn-4-en-20-yne-3,17-diyl diacetate

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID66423828

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3α,10ξ,13α,17α)-19-Norpregn-4-en-20-in-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,10ξ,13α,17α)-19-Norpregn-4-en-20-yne-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,10ξ,13α,17α)-19-norprégn-4-én-20-yne-3,17-diyle [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-diol, 17-ethynyl-, diacetate, (3α,10ξ,13α,17β)- [ACD/Index Name]
Ethinodioldiacetat

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 221.8±27.1 °C
Index of Refraction: 1.546
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5979.89
ACD/KOC (pH 5.5): 17577.17
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5979.89
ACD/KOC (pH 7.4): 17577.17
Polar Surface Area: 53 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement