ChemSpider 2D Image | N-(3,5-Dichloro-4-{[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid | C20H24Cl2N8O5

N-(3,5-Dichloro-4-{[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC20H24Cl2N8O5
  • Average mass527.361 Da
  • Monoisotopic mass526.124695 Da
  • ChemSpider ID163692

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acide N-(3,5-dichloro-4-{[(2,4-diamino-5,6,7,8-tétrahydro-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl]methylamino]benzoyl]- [ACD/Index Name]
N-(3,5-Dichlor-4-{[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(3,5-Dichloro-4-{[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-[(3,5-DICHLORO-4-{[(2,4-DIAMINO-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)FORMAMIDO]PENTANEDIOIC ACID
17700-70-8 [RN]
Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl)methylamino)benzoyl)-, L-
Tetrahydro-3',5'-dichloromethotrexate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 342.7±3.0 cm3

Click to predict properties on the Chemicalize site


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