ChemSpider 2D Image | 2-amino-2-deoxyisochorismic acid | C10H11NO5

2-amino-2-deoxyisochorismic acid

  • Molecular FormulaC10H11NO5
  • Average mass225.198 Da
  • Monoisotopic mass225.063721 Da
  • ChemSpider ID21865648

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-6-Amino-5-[(1-carboxyvinyl)oxy]-1,3-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
(5S,6S)-6-Amino-5-[(1-carboxyvinyl)oxy]-1,3-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-carboxylic acid, 6-amino-5-[(1-carboxyethenyl)oxy]-, (5S,6S)- [ACD/Index Name]
2-amino-2-deoxyisochorismic acid
Acide (5S,6S)-6-amino-5-[(1-carboxyvinyl)oxy]-1,3-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
(2S)-2-amino-4-deoxychorismate
(2S)-2-amino-4-deoxychorismic acid
(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
(5S,6S)-6-amino-5-[(1-carboxyvinyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
5908196 [Beilstein]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 513.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 264.4±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 157.4±5.0 cm3

Click to predict properties on the Chemicalize site


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