ChemSpider 2D Image | N-[4-({[(6S)-2-Amino-4-oxo-3,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid | C19H21N7O6

N-[4-({[(6S)-2-Amino-4-oxo-3,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC19H21N7O6
  • Average mass443.413 Da
  • Monoisotopic mass443.155334 Da
  • ChemSpider ID61712538
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acide N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6-tétrahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
Acide N-[4-({[(6S)-2-imino-4-oxo-1,2,3,4,5,6-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-1,2,3,4,5,6-hexahydro-2-imino-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6-tetrahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-4-oxo-3,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Amino-4-oxo-3,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
N-[4-({[(6S)-2-Imino-4-oxo-1,2,3,4,5,6-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Imino-4-oxo-1,2,3,4,5,6-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(6S)-5,6,7,8-tetrahydrofolate
THG

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: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.86
ACD/LogD (pH 5.5): -4.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 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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