ChemSpider 2D Image | APOPTONE | C21H32O2

APOPTONE

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID32698509
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3α,5α,17α)-Pregn-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3α,5α,17α)-Pregn-20-yne-3,17-diol [ACD/IUPAC Name]
(3α,5α,17α)-Prégn-20-yne-3,17-diol [French] [ACD/IUPAC Name]
APOPTONE
Pregn-20-yne-3,17-diol, (3α,5α,17α)- [ACD/Index Name]
(3?,5?,17?)-pregn-20-yne-3,17-diol
(3α,5α,17α)-pregn-20-yne-3,17-diol
183387-50-0 [RN]
HE 3235
HE3235
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 430.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 189.8±15.8 °C
Index of Refraction: 1.564
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 532.83
ACD/KOC (pH 5.5): 3113.83
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.83
ACD/KOC (pH 7.4): 3113.82
Polar Surface Area: 40 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 282.6±5.0 cm3

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