ChemSpider 2D Image | N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-D-glutamic acid | C20H22N8O6

N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-D-glutamic acid

  • Molecular FormulaC20H22N8O6
  • Average mass470.439 Da
  • Monoisotopic mass470.166229 Da
  • ChemSpider ID32820948

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[(2,4-diamino-7-oxo-1,7-dihydro-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-D-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
432545-62-5 [RN]
7-HYDROXY METHOTREXATE-D3

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: 1.759
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -4.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 105.1±3.0 dyne/cm
Molar Volume: 294.1±3.0 cm3

Click to predict properties on the Chemicalize site


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