ChemSpider 2D Image | MEFOX | C20H23N7O7

MEFOX

  • Molecular FormulaC20H23N7O7
  • Average mass473.439 Da
  • Monoisotopic mass473.165894 Da
  • ChemSpider ID52084671

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

79573-48-1 [RN]
8XT1003K1N
Acide N-(4-{[(2-amino-8-méthyl-4,9-dioxo-6,7,8,9-tétrahydro-4H-pyrazino[1,2-a][1,3,5]triazin-7-yl)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)methyl]amino]benzoyl]- [ACD/Index Name]
MEFOX
N-(4-{[(2-Amino-8-methyl-4,9-dioxo-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a][1,3,5]triazin-7-yl)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2-Amino-8-methyl-4,9-dioxo-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a][1,3,5]triazin-7-yl)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
UNII:8XT1003K1N
(2S)-2-[[4-[(2-amino-8-methyl-4,9-dioxo-6,7-dihydropyrazino[1,2-a][1,3,5]triazin-7-yl)methylamino]benzoyl]amino]pentanedioic acid

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: 114.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.45
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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