ChemSpider 2D Image | 3-(2-{[({(E)-[(3E,8xi,9xi,14xi,17beta)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylic acid | C34H43N3O6

3-(2-{[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylic acid

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID17469030

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

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

1H-Indole-2-carboxylic acid, 3-[2-[[2-[[[(3E,8ξ,9ξ,14ξ,17β)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino]oxy]acetyl]amino]ethyl]-5-methoxy- [ACD/Index Name]
3-(2-{[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-yliden]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
3-(2-{[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2-{[2-({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-hydroxy-17-méthylandrosta-1,4-dién-3-ylidène]amino}oxy)acétyl]amino}éthyl)-5-méthoxy-1H-indole-2-carboxylique [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: 1.655
Molar Refractivity: 160.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 926.93
ACD/KOC (pH 5.5): 2046.95
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 23.78
ACD/KOC (pH 7.4): 52.51
Polar Surface Area: 133 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 436.6±7.0 cm3

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