ChemSpider 2D Image | N-{(2S)-1-Carboxy-1-[(4-iminohomoseryl)amino]-2-propanyl}-D-histidine | C14H22N6O6

N-{(2S)-1-Carboxy-1-[(4-iminohomoseryl)amino]-2-propanyl}-D-histidine

  • Molecular FormulaC14H22N6O6
  • Average mass370.361 Da
  • Monoisotopic mass370.160095 Da
  • ChemSpider ID68025270

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

D-Histidine, N-[(1S)-2-[(2-amino-4-hydroxy-4-imino-1-oxobutyl)amino]-2-carboxy-1-methylethyl]- [ACD/Index Name]
N-{(2S)-1-Carboxy-1-[(4-iminohomoseryl)amino]-2-propanyl}-D-histidin [German] [ACD/IUPAC Name]
N-{(2S)-1-Carboxy-1-[(4-iminohomoseryl)amino]-2-propanyl}-D-histidine [ACD/IUPAC Name]
N-{(2S)-1-Carboxy-1-[(4-iminohomoséryl)amino]-2-propanyl}-D-histidine [French] [ACD/IUPAC Name]

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

FR 900490 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 74.5±7.0 dyne/cm
Molar Volume: 224.7±7.0 cm3

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