ChemSpider 2D Image | UNII:57959QO1M0 | C22H30O3

UNII:57959QO1M0

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID48063765

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(17α)-17-Hydroxy-2-(hydroxymethyl)pregn-4-en-20-in-3-on [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one [ACD/IUPAC Name]
(17α)-17-Hydroxy-2-(hydroxyméthyl)prégn-4-én-20-yn-3-one [French] [ACD/IUPAC Name]
2-HYDROXYMETHYLETHISTERONE
Pregn-4-en-20-yn-3-one, 17-hydroxy-2-(hydroxymethyl)-, (17α)- [ACD/Index Name]
UNII:57959QO1M0
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
67110-85-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 268.9±25.2 °C
Index of Refraction: 1.583
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.64
ACD/KOC (pH 5.5): 862.42
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.64
ACD/KOC (pH 7.4): 862.42
Polar Surface Area: 58 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 288.3±5.0 cm3

Click to predict properties on the Chemicalize site


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