ChemSpider 2D Image | Dichloromethotrexate | C20H20Cl2N8O5

Dichloromethotrexate

  • Molecular FormulaC20H20Cl2N8O5
  • Average mass523.329 Da
  • Monoisotopic mass522.093384 Da
  • ChemSpider ID28769

More details:

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

Acide N-(3,5-dichloro-4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)glutamique [French] [ACD/IUPAC Name]
Dichloromethotrexate
Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [ACD/Index Name]
N-(3,5-Dichlor-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)glutaminsäure [German] [ACD/IUPAC Name]
N-(3,5-Dichloro-4-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)glutamic acid
N-(3,5-Dichloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)glutamic acid [ACD/IUPAC Name]
N-(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid
2-{3,5-Dichloro-4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(DCM)
29NS58S465
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI-C04875 [DBID]
NSC 29630 [DBID]
NSC29630 [DBID]
NSC-29630 [DBID]

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: 1.739
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 95.3±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


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