ChemSpider 2D Image | (3R,7R,8R,9S,10S,13R,14S)-17-[(2R)-4-Amino-2-butanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | C23H41NO2

(3R,7R,8R,9S,10S,13R,14S)-17-[(2R)-4-Amino-2-butanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

  • Molecular FormulaC23H41NO2
  • Average mass363.577 Da
  • Monoisotopic mass363.313721 Da
  • ChemSpider ID31106627

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3R,7R,8R,9S,10S,13R,14S)-17-[(2R)-4-Amino-2-butanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3,7-diol [German] [ACD/IUPAC Name]
(3R,7R,8R,9S,10S,13R,14S)-17-[(2R)-4-Amino-2-butanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol [ACD/IUPAC Name]
(3R,7R,8R,9S,10S,13R,14S)-17-[(2R)-4-Amino-2-butanyl]-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrène-3,7-diol [French] [ACD/IUPAC 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: 490.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 250.7±21.8 °C
Index of Refraction: 1.541
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 66 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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