ChemSpider 2D Image | (3S)-1-({6-[(2-Nitrophenyl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinesulfonic acid | C16H19N3O9S

(3S)-1-({6-[(2-Nitrophenyl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinesulfonic acid

  • Molecular FormulaC16H19N3O9S
  • Average mass429.402 Da
  • Monoisotopic mass429.084198 Da
  • ChemSpider ID114101387

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-({6-[(2-Nitrophenyl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinesulfonic acid [ACD/IUPAC Name]
(3S)-1-({6-[(2-Nitrophenyl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinsulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinesulfonic acid, 1-[[6-[(2-nitrophenyl)amino]-1-oxohexyl]oxy]-2,5-dioxo-, (3S)- [ACD/Index Name]
Acide (3S)-1-({6-[(2-nitrophényl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinesulfonique [French] [ACD/IUPAC 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: 1.624
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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