ChemSpider 2D Image | 4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-3-fluoro-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide | C20H21FN8O5

4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-3-fluoro-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide

  • Molecular FormulaC20H21FN8O5
  • Average mass472.430 Da
  • Monoisotopic mass472.161896 Da
  • ChemSpider ID95576410

More details:

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

4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-3-fluor-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-yliden]benzamid [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-3-fluoro-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-ptéridinyl)méthyl](méthyl)amino}-3-fluoro-N-[(2Z)-1,1,5,5-tétrahydroxy-4-pentén-2-ylidène]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-N-[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]-3-fluoro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.8±37.1 °C
Index of Refraction: 1.733
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.27
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.62
Polar Surface Area: 217 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

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