ChemSpider 2D Image | N-(4-{[2-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}-3,5-dichlorobenzoyl)-D-glutamic acid | C20H19Cl2N7O6

N-(4-{[2-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}-3,5-dichlorobenzoyl)-D-glutamic acid

  • Molecular FormulaC20H19Cl2N7O6
  • Average mass524.314 Da
  • Monoisotopic mass523.077393 Da
  • ChemSpider ID87884

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[2-(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)éthyl]amino}-3,5-dichlorobenzoyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]-3,5-dichlorobenzoyl]- [ACD/Index Name]
N-(4-{[2-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}-3,5-dichlorbenzoyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[2-(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}-3,5-dichlorobenzoyl)-D-glutamic acid [ACD/IUPAC Name]
(2R)-2-[[4-[2-(2-AMINO-4-OXO-1H-PTERIDIN-6-YL)ETHYLAMINO]-3,5-DICHLORO-BENZOYL]AMINO]PENTANEDIOIC ACID
3',5'-Dichlorohomofolic acid
51865-65-7 [RN]
D-Glutamic acid, N-(4-((2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl)amino)-3,5-dichlorobenzoyl)-

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

NSC 118423 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 78.1±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement