ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-gamma-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid | C39H44N8O15

N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-γ-glutamyl-γ-glutamyl-γ-glutamylglutamic acid

  • Molecular FormulaC39H44N8O15
  • Average mass864.811 Da
  • Monoisotopic mass864.292603 Da
  • ChemSpider ID23139261

More details:






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

Acide N-(4-{[(2-amino-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}benzoyl)-γ-glutamyl-γ-glutamyl-γ-glutamylglutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]-γ-glutamyl-γ-glutamyl-γ-glutamyl- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}benzoyl)-γ-glutamyl-γ-glutamyl-γ-glutamylglutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-γ-glutamyl-γ-glutamyl-γ-glutamylglutamic acid [ACD/IUPAC Name]
2-{4-[4-(4-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyrylamino}-pentanedioic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 212.5±0.3 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -9.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 378 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 572.6±3.0 cm3

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