ChemSpider 2D Image | (5alpha,7alpha,13alpha,14beta,15beta,16E,17alpha)-17-(3-Furyl)-4,4,8-trimethyl-16-{[(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazol-4-yl)methoxy]imino}-3-oxo-14,15-epoxyandrost-1-en-7-yl ac etate | C40H47N5O7

(5α,7α,13α,14β,15β,16E,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-{[(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazol-4-yl)methoxy]imino}-3-oxo-14,15-epoxyandrost-1-en-7-yl ac etate

  • Molecular FormulaC40H47N5O7
  • Average mass709.831 Da
  • Monoisotopic mass709.347534 Da
  • ChemSpider ID76791472

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α,7α,13α,14β,15β,16E,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-{[(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazol-4-yl)methoxy]imino}-3-oxo-14,15-epoxyandrost-1-en-7-yl ac etate [ACD/IUPAC Name]
(5α,7α,13α,14β,15β,16E,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-{[(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazol-4-yl)methoxy]imino}-3-oxo-14,15-epoxyandrost-1-en-7-yl-ac etat [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetamide, 4-[[[[(5α,7α,13α,14β,15β,16E,17α)-7-(acetyloxy)-14,15-epoxy-17-(3-furanyl)-4,4,8-trimethyl-3-oxoandrost-1-en-16-ylidene]amino]oxy]methyl]-N-(4-meth ylphenyl)- [ACD/Index Name]
Acétate de (5α,7α,13α,14β,15β,16E,17α)-17-(3-furyl)-4,4,8-triméthyl-16-{[(1-{2-[(4-méthylphényl)amino]-2-oxoéthyl}-1H-1,2,3-triazol-4-yl)méthoxy]imino}-3-oxo-14,15-époxyandrost-1 -én-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 192.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3557.26
ACD/KOC (pH 5.5): 12119.31
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3557.40
ACD/KOC (pH 7.4): 12119.78
Polar Surface Area: 150 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 514.8±7.0 cm3

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