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

2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-2-methoxybenzoyl)amino]-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC20H22N8O6
  • Average mass470.439 Da
  • Monoisotopic mass470.166229 Da
  • ChemSpider ID95580356

More details:

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

2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-2-methoxybenzoyl)amino]-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-2-methoxybenzoyl)amino]-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 2-[[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-2-methoxybenzoyl]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 2-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}-2-méthoxybenzoyl)amino]-4,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC Name]

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: 1.762
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 99.8±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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