ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-4,8-dihydro-6-pteridinyl)(~2~H_2_)methyl]amino}benzoyl)-L-glutamic acid | C19H17D2N7O6

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

  • Molecular FormulaC19H17D2N7O6
  • Average mass443.410 Da
  • Monoisotopic mass443.152222 Da
  • ChemSpider ID48063100
  • 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

Acide N-(4-{[(2-amino-4-oxo-4,8-dihydro-6-ptéridinyl)(2H2)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl-d2]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-4,8-dihydro-6-pteridinyl)(2H2)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-4,8-dihydro-6-pteridinyl)(2H2)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[[4-[[(2-amino-4-oxo-1H-pteridin-6-yl)-dideuteriomethyl]amino]benzoyl]amino]pentanedioic acid
69022-87-3 [RN]
Folic Acid-d2
N-(4-{[(2-Amino-4-oxo-1,4-dihydropteridin-6-yl)(2H2)methyl]amino}benzoyl)-L-glutamic acid

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: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 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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