ChemSpider 2D Image | 2-{[6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}ethanesulfonic acid | C16H19N3O8S

2-{[6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}ethanesulfonic acid

  • Molecular FormulaC16H19N3O8S
  • Average mass413.402 Da
  • Monoisotopic mass413.089294 Da
  • ChemSpider ID120265969

More details:

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

2-{[6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}ethanesulfonic acid [ACD/IUPAC Name]
2-{[6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-{[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[6-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]- [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: 1.608
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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