ChemSpider 2D Image | N-(4-{[2-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl]amino}benzoyl)glutamic acid | C21H26N6O6

N-(4-{[2-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl]amino}benzoyl)glutamic acid

  • Molecular FormulaC21H26N6O6
  • Average mass458.468 Da
  • Monoisotopic mass458.191376 Da
  • ChemSpider ID23133664

More details:

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

Acide N-(4-{[2-(2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)éthyl]amino}benzoyl)glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[2-(2-amino-5,6,7,8-tetrahydro-4-hydroxypyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[2-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl]amino}benzoyl)glutamic acid [ACD/IUPAC Name]
N-(4-{[2-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl]amino}benzoyl)glutaminsäure [German] [ACD/IUPAC Name]
2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[3,2-d]pyrimidin-6-yl)-ethylamino]-benzoylamino}-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290815/

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: 1.666
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 316.9±3.0 cm3

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