ChemSpider 2D Image | (3beta,7beta)-7-Hydroxy-17-oxoandrost-5-en-3-yl heptanoate | C26H40O4

(3β,7β)-7-Hydroxy-17-oxoandrost-5-en-3-yl heptanoate

  • Molecular FormulaC26H40O4
  • Average mass416.593 Da
  • Monoisotopic mass416.292664 Da
  • ChemSpider ID24206678

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,7β)-7-Hydroxy-17-oxoandrost-5-en-3-yl heptanoate [ACD/IUPAC Name]
(3β,7β)-7-Hydroxy-17-oxoandrost-5-en-3-yl-heptanoat [German] [ACD/IUPAC Name]
517894-26-7 [RN]
Heptanoate de (3β,7β)-7-hydroxy-17-oxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (3β,7β)-7-hydroxy-17-oxoandrost-5-en-3-yl ester [ACD/Index Name]
Androst-5-en-17-one, 7-hydroxy-3-[(1-oxoheptyl)oxy]-, (3β)- (9CI)
Androst-5-en-17-one,7-hydroxy-3-[(1-oxoheptyl)oxy]-,(3β)-(9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 172.1±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5078.61
ACD/KOC (pH 5.5): 15637.41
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5078.61
ACD/KOC (pH 7.4): 15637.41
Polar Surface Area: 64 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

Click to predict properties on the Chemicalize site


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