ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta)-Pregn-5-en-20-yne-3,17-diol | C21H30O2

(3α,8α,9β,10α,13α,14β)-Pregn-5-en-20-yne-3,17-diol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID110092054

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β)-Pregn-5-en-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-Pregn-5-en-20-yne-3,17-diol [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-Prégn-5-én-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Pregn-5-en-20-yne-3,17-diol, (3α,8α,9β,10α,13α,14β)- [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: 442.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 197.7±23.3 °C
Index of Refraction: 1.580
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 794.70
ACD/KOC (pH 5.5): 4145.40
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 794.70
ACD/KOC (pH 7.4): 4145.39
Polar Surface Area: 40 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 275.2±5.0 cm3

Click to predict properties on the Chemicalize site


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