ChemSpider 2D Image | beta-(2,2,3,3-~2~H_4_)Alanyl-3-methyl-L-histidine | C10H12D4N4O3

β-(2,2,3,3-2H4)Alanyl-3-methyl-L-histidine

  • Molecular FormulaC10H12D4N4O3
  • Average mass244.284 Da
  • Monoisotopic mass244.147354 Da
  • ChemSpider ID60498018
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

L-Histidine, β-alanyl-2,2,3,3-d4-3-methyl- [ACD/Index Name]
β-(2,2,3,3-2H4)Alanyl-3-methyl-L-histidin [German] [ACD/IUPAC Name]
β-(2,2,3,3-2H4)Alanyl-3-methyl-L-histidine [ACD/IUPAC Name]
β-(2,2,3,3-2H4)Alanyl-3-méthyl-L-histidine [French] [ACD/IUPAC Name]
1201658-81-2 [RN]
L-Anserine-d4 (N-b-alanyl-d4)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 611.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.5±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 60.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 173.1±7.0 cm3

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