ChemSpider 2D Image | (4S,6R)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid | C11H13N3O6

(4S,6R)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid

  • Molecular FormulaC11H13N3O6
  • Average mass283.237 Da
  • Monoisotopic mass283.080444 Da
  • ChemSpider ID58841083

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6R)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4,6-dicarbonsäure [German] [ACD/IUPAC Name]
(4S,6R)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid [ACD/IUPAC Name]
1H-Imidazo[4,5-c]pyridine-4,6-dicarboxylic acid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6R)- [ACD/Index Name]
Acide (4S,6R)-4-(2-carboxyéthyl)-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine-4,6-dicarboxylique [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: 782.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 88.9±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site


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