ChemSpider 2D Image | N-[4-({[2-Amino-4-oxo(6,7-~2~H_2_)-1,4,5,6,7,8-hexahydro-6-pteridinyl](~2~H_2_)methyl}amino)benzoyl]-L-glutamic acid | C19H19D4N7O6

N-[4-({[2-Amino-4-oxo(6,7-2H2)-1,4,5,6,7,8-hexahydro-6-pteridinyl](2H2)methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC19H19D4N7O6
  • Average mass449.454 Da
  • Monoisotopic mass449.196075 Da
  • ChemSpider ID48063549
  • 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-4-oxo(6,7-2H2)-1,4,5,6,7,8-hexahydro-6-ptéridinyl](2H2)méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl-6,7-d2)methyl-d2]amino]benzoyl]- [ACD/Index Name]
N-[4-({[2-Amino-4-oxo(6,7-2H2)-1,4,5,6,7,8-hexahydro-6-pteridinyl](2H2)methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[2-Amino-4-oxo(6,7-2H2)-1,4,5,6,7,8-hexahydro-6-pteridinyl](2H2)methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[[4-[[(2-amino-6,7-dideuterio-4-oxo-1,5,7,8-tetrahydropteridin-6-yl)-dideuteriomethyl]amino]benzoyl]amino]pentanedioic acid
1356841-72-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.763
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.79
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 261.4±7.0 cm3

Click to predict properties on the Chemicalize site






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