ChemSpider 2D Image | N-[4-({[(6S)-2-Amino-4a-hydroxy-5-methyl-4-oxo-4,4a,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid | C20H25N7O7

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

  • Molecular FormulaC20H25N7O7
  • Average mass475.455 Da
  • Monoisotopic mass475.181549 Da
  • ChemSpider ID58784505

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide N-[4-({[(6S)-2-amino-4a-hydroxy-5-méthyl-4-oxo-4,4a,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-2-amino-4,4a,5,6,7,8-hexahydro-4a-hydroxy-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-4a-hydroxy-5-methyl-4-oxo-4,4a,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Amino-4a-hydroxy-5-methyl-4-oxo-4,4a,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: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 78.6±7.0 dyne/cm
Molar Volume: 285.2±7.0 cm3

Click to predict properties on the Chemicalize site


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