ChemSpider 2D Image | (5R,6S)-6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid | C7H9NO3

(5R,6S)-6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC7H9NO3
  • Average mass155.151 Da
  • Monoisotopic mass155.058243 Da
  • ChemSpider ID26332022

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6S)-6-Amino-5-hydroxy-1,3-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
(5R,6S)-6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-carboxylic acid, 6-amino-5-hydroxy-, (5R,6S)- [ACD/Index Name]
Acide (5R,6S)-6-amino-5-hydroxy-1,3-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
(2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid
(2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion
(2S,3R)-2-amino-2,3-dihydro-3-hydroxybenzoic acid
(2S,3R)-2-amino-2,3-dihydro-3-hydroxybenzoic acid zwitterion
(5R,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
(5R,6S)-6-ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 190.9±27.9 °C
Index of Refraction: 1.625
Molar Refractivity: 38.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 107.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement