ChemSpider 2D Image | N-[4-({[2-Amino-5-(~13~C,~2~H_3_)methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid | C1913CH22D3N7O6

N-[4-({[2-Amino-5-(13C,2H3)methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC1913CH22D3N7O6
  • Average mass463.467 Da
  • Monoisotopic mass463.208832 Da
  • ChemSpider ID114392472

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-[4-({[2-amino-5-(13C,2H3)méthyl-4-oxo-3,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[2-amino-3,4,5,6,7,8-hexahydro-5-(methyl-13C-d3)-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[2-Amino-5-(13C,2H3)methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[2-Amino-5-(13C,2H3)methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]

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: 1.733
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

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