Deprecated ChemSpider Record

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ChemSpider 2D Image | Testosterone isocaproate | C25H38O3

Testosterone isocaproate

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID23089246
  • defined stereocentres - 3 of 6 defined stereocentres


More details:





Date of deprecation: 13:13, Mar 28, 2018
Reason for deprecation: Deprecate record: 3 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(8ξ,10ξ,13ξ,17β)-3-Oxoandrost-4-en-17-yl 4-methylpentanoate [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,17β)-3-Oxoandrost-4-en-17-yl-4-methylpentanoat [German] [ACD/IUPAC Name]
4-Méthylpentanoate de (8ξ,10ξ,13ξ,17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-, (8ξ,10ξ,13ξ,17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
Testosterone isocaproate
15262-86-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 487.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 208.0±28.8 °C
Index of Refraction: 1.529
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7726.38
ACD/KOC (pH 5.5): 21115.63
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7726.38
ACD/KOC (pH 7.4): 21115.63
Polar Surface Area: 43 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

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