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Search term: WFZXXMUJJKQVLZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8alpha,17beta)-3-Oxoandrost-4-en-17-yl 4-{[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino}-4-oxobutanoate | C32H41NO6

(8α,17β)-3-Oxoandrost-4-en-17-yl 4-{[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino}-4-oxobutanoate

  • Molecular FormulaC32H41NO6
  • Average mass535.671 Da
  • Monoisotopic mass535.293396 Da
  • ChemSpider ID62528590

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,17β)-3-Oxoandrost-4-en-17-yl 4-{[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
(8α,17β)-3-Oxoandrost-4-en-17-yl-4-{[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{[(1S)-2-Méthoxy-2-oxo-1-phényléthyl]amino}-4-oxobutanoate de (8α,17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[1,4-dioxo-4-[[(8α,17β)-3-oxoandrost-4-en-17-yl]oxy]butyl]amino]-, methyl ester, (αS)- [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: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2306.80
ACD/KOC (pH 5.5): 8888.72
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2306.80
ACD/KOC (pH 7.4): 8888.72
Polar Surface Area: 99 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 441.9±5.0 cm3

Click to predict properties on the Chemicalize site


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