Found 2 results

Search term: XPCSGTPPHYORKJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl (~2~H_19_)decanoate | C34H30D19NO2

(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl (2H19)decanoate

  • Molecular FormulaC34H30D19NO2
  • Average mass522.875 Da
  • Monoisotopic mass522.495605 Da
  • ChemSpider ID128918704
  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2H19)Décanoate de (3β)-17-(3-pyridinyl)androsta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl (2H19)decanoate [ACD/IUPAC Name]
(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl-(2H19)decanoat [German] [ACD/IUPAC Name]
Decanoic-d19 acid, (3β)-17-(3-pyridinyl)androsta-5,16-dien-3-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.80
ACD/LogD (pH 5.5): 10.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5789098.00
ACD/LogD (pH 7.4): 10.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9442877.00
Polar Surface Area: 39 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 471.9±5.0 cm3

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