ChemSpider 2D Image | N-[4-({2-[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)benzoyl]glutamic acid | C20H25N7O6

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

  • Molecular FormulaC20H25N7O6
  • Average mass459.456 Da
  • Monoisotopic mass459.186646 Da
  • ChemSpider ID23121554

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acide N-[4-({2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]éthyl}amino)benzoyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[2-[(6S)-2-amino-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl]ethyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]ethyl}amino)benzoyl]glutamic acid
N-[4-({2-[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-({2-[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-yl)-ethylamino]-benzoylamino}-pentanedioic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 312.9±3.0 cm3

Click to predict properties on the Chemicalize site


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