ChemSpider 2D Image | Ovandrotone | C22H30O4S

Ovandrotone

  • Molecular FormulaC22H30O4S
  • Average mass390.536 Da
  • Monoisotopic mass390.186493 Da
  • ChemSpider ID59650713

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-{[(7α,8ξ,10ξ)-3,17-Dioxoandrost-4-en-7-yl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[(7α,8ξ,10ξ)-3,17-Dioxoandrost-4-en-7-yl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[(7α,8ξ,10ξ)-3,17-dioxoandrost-4-én-7-yl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
androstenedione-7α-carboxyethylthioether
Ovandrotone [Wiki]
Propanoic acid, 3-[[(7α,8ξ,10ξ)-3,17-dioxoandrost-4-en-7-yl]thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 5.79
ACD/KOC (pH 5.5): 56.06
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 313.2±5.0 cm3

Click to predict properties on the Chemicalize site


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