ChemSpider 2D Image | 2-(Aminomethyl)-3-hydroxy-5-oxo-4-(L-seryl-2-carboxy-beta-aspartyl)-2,5-dihydro-1H-pyrrole | C13H18N4O9

2-(Aminomethyl)-3-hydroxy-5-oxo-4-(L-seryl-2-carboxy-β-aspartyl)-2,5-dihydro-1H-pyrrole

  • Molecular FormulaC13H18N4O9
  • Average mass374.303 Da
  • Monoisotopic mass374.107391 Da
  • ChemSpider ID113589926

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-(Aminomethyl)-3-hydroxy-5-oxo-4-(L-seryl-2-carboxy-β-asparagyl)-2,5-dihydro-1H-pyrrol [German] [ACD/IUPAC Name]
2-(Aminomethyl)-3-hydroxy-5-oxo-4-(L-seryl-2-carboxy-β-aspartyl)-2,5-dihydro-1H-pyrrole [ACD/IUPAC Name]
2-(Aminométhyl)-3-hydroxy-5-oxo-4-(L-séryl-2-carboxy-β-aspartyl)-2,5-dihydro-1H-pyrrole [French] [ACD/IUPAC Name]
Isovaline, L-seryl-4-[5-(aminomethyl)-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrol-3-yl]-2'-hydroxy-2',4-dioxo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 934.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.3±6.0 kJ/mol
Flash Point: 519.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 105.8±3.0 dyne/cm
Molar Volume: 219.3±3.0 cm3

Click to predict properties on the Chemicalize site


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