ChemSpider 2D Image | Methyl 2-({N~2~-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-glutaminyl}amino)benzoate | C22H23N7O7

Methyl 2-({N2-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-glutaminyl}amino)benzoate

  • Molecular FormulaC22H23N7O7
  • Average mass497.461 Da
  • Monoisotopic mass497.165894 Da
  • ChemSpider ID35516886

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({N2-[(1,3-Diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-6-ptéridinyl)carbonyl]-L-glutaminyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2S)-5-amino-1,5-dioxo-2-[[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-pteridinyl)carbonyl]amino]pentyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({N2-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-glutaminyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({N2-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-glutaminyl}amino)benzoat [German] [ACD/IUPAC Name]
Aspergilumamide A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.52
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.51
Polar Surface Area: 194 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

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