ChemSpider 2D Image | 1-Naphthalenesulfonic acid, 5-((2-((((2-((((((17beta)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)ethyl)thio)acetyl)amino)ethyl)amino)- | C37H50N4O7S2

1-Naphthalenesulfonic acid, 5-((2-((((2-((((((17β)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)ethyl)thio)acetyl)amino)ethyl)amino)-

  • Molecular FormulaC37H50N4O7S2
  • Average mass726.945 Da
  • Monoisotopic mass726.312073 Da
  • ChemSpider ID20158015

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-Naphthalenesulfonic acid, 5-((2-((((2-((((((17β)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)ethyl)thio)acetyl)amino)ethyl)amino)-
1-Naphthalenesulfonic acid, 5-[[2-[[2-[[2-[[2-[[[(3Z,17β)-17-hydroxyandrost-4-en-3-ylidene]amino]oxy]acetyl]amino]ethyl]thio]acetyl]amino]ethyl]amino]- [ACD/Index Name]
5-{[2-({[(2-{[({(Z)-[(3Z,17β)-17-Hydroxyandrost-4-en-3-yliden]amino}oxy)acetyl]amino}ethyl)sulfanyl]acetyl}amino)ethyl]amino}-1-naphthalinsulfonsäure [German] [ACD/IUPAC Name]
5-{[2-({[(2-{[({(Z)-[(3Z,17β)-17-Hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}ethyl)sulfanyl]acetyl}amino)ethyl]amino}-1-naphthalenesulfonic acid [ACD/IUPAC Name]
Acide 5-{[2-({2-[(2-{[2-({(Z)-[(3Z,17β)-17-hydroxyandrost-4-én-3-ylidène]amino}oxy)acétyl]amino}éthyl)sulfanyl]acétyl}amino)éthyl]amino}-1-naphtalènesulfonique [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: 1.675
Molar Refractivity: 193.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 513.8±7.0 cm3

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