ChemSpider 2D Image | N-[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid | C25H32N8O9

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

  • Molecular FormulaC25H32N8O9
  • Average mass588.570 Da
  • Monoisotopic mass588.229248 Da
  • ChemSpider ID35034426

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-[4-({[(6S)-2-amino-5-méthyl-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-γ-glutamyl-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-γ-glutamyl- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-γ-glutamyl-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-γ-glutamyl-L-glutaminsäure [German] [ACD/IUPAC Name]
N-[4-({[(6s)-2-Amino-5-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydropteridin-6-Yl]methyl}amino)benzoyl]-L-γ-Glutamyl-L-Glutamic Acid
TLL

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.91
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 359.1±7.0 cm3

Click to predict properties on the Chemicalize site


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