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

ChemSpider 2D Image | 2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(ethylsulfonyl)amino]benzenesulfonic acid | C15H21NO9S2

2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(ethylsulfonyl)amino]benzenesulfonic acid

  • Molecular FormulaC15H21NO9S2
  • Average mass423.458 Da
  • Monoisotopic mass423.065765 Da
  • ChemSpider ID103533611

More details:






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

2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(ethylsulfonyl)amino]benzenesulfonic acid [ACD/IUPAC Name]
2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(ethylsulfonyl)amino]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(1,3-diéthoxy-1,3-dioxo-2-propanyl)(éthylsulfonyl)amino]benzènesulfonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(ethylsulfonyl)(2-sulfophenyl)amino]-, 1,3-diethyl ester [ACD/Index 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: 1.560
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 294.1±3.0 cm3

Click to predict properties on the Chemicalize site






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