ChemSpider 2D Image | N-(3,5-Dichloro-4-{[(2,4-diamino-7-oxo-7,8-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid | C20H20Cl2N8O6

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

  • Molecular FormulaC20H20Cl2N8O6
  • Average mass539.329 Da
  • Monoisotopic mass538.088257 Da
  • ChemSpider ID4677810

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(3,5-dichloro-4-{[(2,4-diamino-7-oxo-7,8-dihydro-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]- [ACD/Index Name]
N-(3,5-Dichlor-4-{[(2,4-diamino-7-oxo-7,8-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(3,5-Dichloro-4-{[(2,4-diamino-7-oxo-7,8-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-[(3,5-DICHLORO-4-{[(2,4-DIAMINO-7-OXO-8H-PTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)FORMAMIDO]PENTANEDIOIC ACID
(2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
751-75-7 [RN]
7-Hdcm
7-Hydroxydichloromethotrexate
L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-

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: 1.774
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 81.0±7.0 dyne/cm
Molar Volume: 297.9±7.0 cm3

Click to predict properties on the Chemicalize site


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