ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-17-Iodoandrosta-5,16-dien-3-ol | C19H27IO

(3β,8ξ,9ξ,14ξ)-17-Iodoandrosta-5,16-dien-3-ol

  • Molecular FormulaC19H27IO
  • Average mass398.322 Da
  • Monoisotopic mass398.110657 Da
  • ChemSpider ID26231055

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-17-Iodandrosta-5,16-dien-3-ol [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-Iodoandrosta-5,16-dien-3-ol [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-Iodoandrosta-5,16-dién-3-ol [French] [ACD/IUPAC Name]
Androsta-5,16-dien-3-ol, 17-iodo-, (3β,8ξ,9ξ,14ξ)- [ACD/Index Name]
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
17-Iodoandrosta-5,16-dien-3β-ol
32138-69-5 [RN]
MFCD22208557 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 447.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.4±6.0 kJ/mol
Flash Point: 224.4±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6721.10
ACD/KOC (pH 5.5): 19110.54
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6721.10
ACD/KOC (pH 7.4): 19110.54
Polar Surface Area: 20 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 273.1±5.0 cm3

Click to predict properties on the Chemicalize site


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