ChemSpider 2D Image | 3-{[3-(Acetylsulfanyl)-3-methylbutanoyl](2,5-dioxo-1-pyrrolidinyl)amino}-3-sulfopropanoic acid | C14H20N2O9S2

3-{[3-(Acetylsulfanyl)-3-methylbutanoyl](2,5-dioxo-1-pyrrolidinyl)amino}-3-sulfopropanoic acid

  • Molecular FormulaC14H20N2O9S2
  • Average mass424.447 Da
  • Monoisotopic mass424.061035 Da
  • ChemSpider ID64884644

More details:

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

3-{[3-(Acetylsulfanyl)-3-methylbutanoyl](2,5-dioxo-1-pyrrolidinyl)amino}-3-sulfopropanoic acid [ACD/IUPAC Name]
3-{[3-(Acetylsulfanyl)-3-methylbutanoyl](2,5-dioxo-1-pyrrolidinyl)amino}-3-sulfopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[3-(acétylsulfanyl)-3-méthylbutanoyl](2,5-dioxo-1-pyrrolidinyl)amino}-3-sulfopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[3-(acetylthio)-3-methyl-1-oxobutyl](2,5-dioxo-1-pyrrolidinyl)amino]-3-sulfo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -7.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 267.6±5.0 cm3

Click to predict properties on the Chemicalize site


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