Found 1 result

Search term: CCLMIOJNRWMLFK-VHSXEESVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-[(2R)-2-Amino-2-carboxyethyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid | C13H15N3O4

(5S)-5-[(2R)-2-Amino-2-carboxyethyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC13H15N3O4
  • Average mass277.276 Da
  • Monoisotopic mass277.106262 Da
  • ChemSpider ID30833951

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(2R)-2-Amino-2-carboxyethyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
(5S)-5-[(2R)-2-Amino-2-carboxyethyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-5-propanoic acid, α-amino-3-carboxy-4,5-dihydro-1-phenyl-, (αR,5S)- [ACD/Index Name]
Acide (5S)-5-[(2R)-2-amino-2-carboxyéthyl]-1-phényl-4,5-dihydro-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.1±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.2±31.8 °C
Index of Refraction: 1.671
Molar Refractivity: 69.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 186.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement