ChemSpider 2D Image | L-Arogenic acid | C10H13NO5

L-Arogenic acid

  • Molecular FormulaC10H13NO5
  • Average mass227.214 Da
  • Monoisotopic mass227.079376 Da
  • ChemSpider ID28533971

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

L-Arogenic acid
2,5-Cyclohexadiene-1-propanoic acid, α-amino-1-carboxy-4-hydroxy-, cis- [ACD/Index Name]
53078-86-7 [RN]
Acide cis-1-[(2S)-2-amino-2-carboxyéthyl]-4-hydroxy-2,5-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
cis-1-[(2S)-2-Amino-2-carboxyethyl]-4-hydroxy-2,5-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
cis-1-[(2S)-2-Amino-2-carboxyethyl]-4-hydroxy-2,5-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
pretyrosine
arogenic acid

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

OF8O7OR17T [DBID]
UNII:OF8O7OR17T [DBID]
UNII-OF8O7OR17T [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 510.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 262.4±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

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