ChemSpider 2D Image | N-[(2S)-2,4-Bis(carboxyamino)butanoyl]-D-alanyl-D-alanine | C12H20N4O8

N-[(2S)-2,4-Bis(carboxyamino)butanoyl]-D-alanyl-D-alanine

  • Molecular FormulaC12H20N4O8
  • Average mass348.309 Da
  • Monoisotopic mass348.128113 Da
  • ChemSpider ID57524923

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Alanine, N-[(2S)-2,4-bis(carboxyamino)-1-oxobutyl]-D-alanyl- [ACD/Index Name]
N-[(2S)-2,4-Bis(carboxyamino)butanoyl]-D-alanyl-D-alanin [German] [ACD/IUPAC Name]
N-[(2S)-2,4-Bis(carboxyamino)butanoyl]-D-alanyl-D-alanine [ACD/IUPAC Name]
N-[(2S)-2,4-Bis(carboxyamino)butanoyl]-D-alanyl-D-alanine [French] [ACD/IUPAC Name]
34047-75-1 [RN]
diacetyl-α,γ-diaminobutyrylalanylalanine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 241.1±3.0 cm3

Click to predict properties on the Chemicalize site


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