ChemSpider 2D Image | 2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-3-hydroxypentanedioic acid | C20H22N8O6

2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-3-hydroxypentanedioic acid

  • Molecular FormulaC20H22N8O6
  • Average mass470.439 Da
  • Monoisotopic mass470.166229 Da
  • ChemSpider ID23164722

More details:






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

2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-3-hydroxypentandisäure [German] [ACD/IUPAC Name]
2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-3-hydroxypentanedioic acid [ACD/IUPAC Name]
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]-3-hydroxypentanedioic acid (non-preferred name)
Acide 2-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)amino]-3-hydroxypentanedioïque [French] [ACD/IUPAC Name]
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-3-hydroxy-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307820/

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: 1.757
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 105.5±3.0 dyne/cm
Molar Volume: 293.6±3.0 cm3

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