ChemSpider 2D Image | N~2~-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N~6~-(iodoacetyl)-L-lysine | C23H28IN9O4

N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N6-(iodoacetyl)-L-lysine

  • Molecular FormulaC23H28IN9O4
  • Average mass621.431 Da
  • Monoisotopic mass621.130859 Da
  • ChemSpider ID118066

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Lysine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N6-(2-iodoacetyl)- [ACD/Index Name]
N2-(4-{[(2,4-Diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-N6-(2-iodoacétyl)-L-lysine [French] [ACD/IUPAC Name]
N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N6-(iodacetyl)-L-lysin [German] [ACD/IUPAC Name]
N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N6-(iodoacetyl)-L-lysine [ACD/IUPAC Name]
82339-36-4 [RN]
L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N6-(iodoacetyl)-
Lysine iodoacetylmethotrexate
Lysine-iodoacetylmethotrexate
Lysine-iodoacetyl-methotrexate
N(α)-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(ε)-(iodoacetyl) lysine
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 375.4±3.0 cm3

Click to predict properties on the Chemicalize site


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