ChemSpider 2D Image | 4-{[2-({[(2Z)-1,1-Dihydroxy-4-methyl-2-pentanylidene]carbamoyl}oxy)ethyl]sulfonyl}benzenesulfonic acid | C15H21NO9S2

4-{[2-({[(2Z)-1,1-Dihydroxy-4-methyl-2-pentanylidene]carbamoyl}oxy)ethyl]sulfonyl}benzenesulfonic acid

  • Molecular FormulaC15H21NO9S2
  • Average mass423.458 Da
  • Monoisotopic mass423.065765 Da
  • ChemSpider ID95743782

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[2-({[(2Z)-1,1-Dihydroxy-4-methyl-2-pentanyliden]carbamoyl}oxy)ethyl]sulfonyl}benzolsulfonsäure [German] [ACD/IUPAC Name]
4-{[2-({[(2Z)-1,1-Dihydroxy-4-methyl-2-pentanylidene]carbamoyl}oxy)ethyl]sulfonyl}benzenesulfonic acid [ACD/IUPAC Name]
Acide 4-{[2-({[(2Z)-1,1-dihydroxy-4-méthyl-2-pentanylidène]carbamoyl}oxy)éthyl]sulfonyl}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[[2-[[[[(1Z)-1-(dihydroxymethyl)-3-methylbutylidene]amino]carbonyl]oxy]ethyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 284.7±7.0 cm3

Click to predict properties on the Chemicalize site


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