ChemSpider 2D Image | (3beta,7beta)-3-Acetoxy-17-oxoandrost-5-en-7-yl valerate | C26H38O5

(3β,7β)-3-Acetoxy-17-oxoandrost-5-en-7-yl valerate

  • Molecular FormulaC26H38O5
  • Average mass430.577 Da
  • Monoisotopic mass430.271912 Da
  • ChemSpider ID24206673

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,7β)-3-Acetoxy-17-oxoandrost-5-en-7-yl valerate [ACD/IUPAC Name]
(3β,7β)-3-Acetoxy-17-oxoandrost-5-en-7-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, (3β,7β)-3-(acetyloxy)-17-oxoandrost-5-en-7-yl ester [ACD/Index Name]
Valérate de (3β,7β)-3-acétoxy-17-oxoandrost-5-én-7-yle [French] [ACD/IUPAC Name]
(3S,8R,9S,10R,13S,14S)-3-Acetoxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl pentanoate
517894-43-8 [RN]
Androst-5-en-17-one, 3-(acetyloxy)-7-[(1-oxopentyl)oxy]-, (3β)- (9CI)
PUBCHEM_45092554

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 220.1±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2264.12
ACD/KOC (pH 5.5): 8770.67
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2264.12
ACD/KOC (pH 7.4): 8770.67
Polar Surface Area: 70 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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