ChemSpider 2D Image | 2-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)ethyl D-glucopyranosiduronic acid | C13H19NO9

2-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)ethyl D-glucopyranosiduronic acid

  • Molecular FormulaC13H19NO9
  • Average mass333.291 Da
  • Monoisotopic mass333.105988 Da
  • ChemSpider ID58994075

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)ethyl D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)ethyl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 3-[2-(D-glucopyranuronosyloxy)ethyl]-3-methyl- [ACD/Index Name]
Acide D-glucopyranosiduronique de 2-(3-méthyl-2,5-dioxo-3-pyrrolidinyl)éthyle [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: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.18
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

Click to predict properties on the Chemicalize site


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