ChemSpider 2D Image | (3R,4R)-4-Ammonio-3-[(1-carboxylatovinyl)oxy]-1,5-cyclohexadiene-1-carboxylate | C10H10NO5

(3R,4R)-4-Ammonio-3-[(1-carboxylatovinyl)oxy]-1,5-cyclohexadiene-1-carboxylate

  • Molecular FormulaC10H10NO5
  • Average mass224.191 Da
  • Monoisotopic mass224.056442 Da
  • ChemSpider ID26331158

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Ammonio-3-[(1-carboxylatovinyl)oxy]-1,5-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
(3R,4R)-4-Ammonio-3-[(1-carboxylatovinyl)oxy]-1,5-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
(3R,4R)-4-Ammonio-3-[(1-carboxylatovinyl)oxy]-1,5-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]
1,5-Cyclohexadiene-1-carboxylic acid, 4-amino-3-[(1-carboxyethenyl)oxy]-, inner salt, ion(1-), (3R,4R)- [ACD/Index Name]
(3R,4R)-4-ammonio-3-[(1-carboxylatovinyl)oxy]cyclohexa-1,5-diene-1-carboxylate
4-amino-4-deoxychorismate
4-amino-4-deoxychorismate(1-)
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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