ChemSpider 2D Image | L-Alanyl-L-alpha-aspartyl-L-alanyl-L-alanine | C13H22N4O7

L-Alanyl-L-α-aspartyl-L-alanyl-L-alanine

  • Molecular FormulaC13H22N4O7
  • Average mass346.336 Da
  • Monoisotopic mass346.148834 Da
  • ChemSpider ID57488838

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alanine, L-alanyl-L-α-aspartyl-L-alanyl- [ACD/Index Name]
L-Alanyl-L-α-asparagyl-L-alanyl-L-alanin [German] [ACD/IUPAC Name]
L-Alanyl-L-α-aspartyl-L-alanyl-L-alanine [ACD/IUPAC Name]
L-Alanyl-L-α-aspartyl-L-alanyl-L-alanine [French] [ACD/IUPAC Name]
(3S)-3-[(2S)-2-AMINOPROPANAMIDO]-3-{[(1S)-1-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}ETHYL]CARBAMOYL}PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 446.0±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -4.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 255.4±3.0 cm3

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