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Search term: QGEXRNJDWKCAFI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (17beta)-3-Oxoandrost-4-en-17-yl ethynylcarbamate | C22H29NO3

(17β)-3-Oxoandrost-4-en-17-yl ethynylcarbamate

  • Molecular FormulaC22H29NO3
  • Average mass355.471 Da
  • Monoisotopic mass355.214752 Da
  • ChemSpider ID57523194

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-3-Oxoandrost-4-en-17-yl ethynylcarbamate [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl-ethinylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-ethynyl-, (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
Éthynylcarbamate de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
70894-14-3 [RN]
Sts 547

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.13
ACD/KOC (pH 5.5): 2841.42
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 420.37
ACD/KOC (pH 7.4): 2546.05
Polar Surface Area: 55 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 303.6±5.0 cm3

Click to predict properties on the Chemicalize site


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