ChemSpider 2D Image | 1-[(3-Acetoxy-4-methyl-2-oxo-2H-chromen-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonic acid | C16H14N2O9S

1-[(3-Acetoxy-4-methyl-2-oxo-2H-chromen-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonic acid

  • Molecular FormulaC16H14N2O9S
  • Average mass410.355 Da
  • Monoisotopic mass410.041992 Da
  • ChemSpider ID28689219

More details:






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

1-[(3-Acetoxy-4-methyl-2-oxo-2H-chromen-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonic acid [ACD/IUPAC Name]
1-[(3-Acetoxy-4-methyl-2-oxo-2H-chromen-7-yl)amino]-2,5-dioxo-3-pyrrolidinsulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinesulfonic acid, 1-[[3-(acetyloxy)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]amino]-2,5-dioxo- [ACD/Index Name]
Acide 1-[(3-acétoxy-4-méthyl-2-oxo-2H-chromén-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonique [French] [ACD/IUPAC Name]
1-((3-Acetoxy-4-methyl-2-oxo-2H-chromen-7-yl)amino)-2,5-dioxopyrrolidine-3-sulfonic acid
152305-86-7 [RN]
sulfosuccinimidyl 7-amino-4-methylcoumarin-3-acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 239.9±5.0 cm3

Click to predict properties on the Chemicalize site






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