Found 1 result

Search term: VGQGEPKBLLWTIL-SFHVURJKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(4-{[1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]amino}benzoyl)-L-glutamic acid | C26H24Cl2N6O7

N-(4-{[1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC26H24Cl2N6O7
  • Average mass603.411 Da
  • Monoisotopic mass602.108337 Da
  • ChemSpider ID129299567

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[1-(3,4-dichlorobenzyl)-3,7-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[1-[(3,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[1-(3,4-Dichlorbenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

Click to predict properties on the Chemicalize site


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