ChemSpider 2D Image | 4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-N-{(2Z,4E)-1,1,5-trihydroxy-5-[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]-4-penten-2-ylidene}benzamide | C24H25N9O7

4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-N-{(2Z,4E)-1,1,5-trihydroxy-5-[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]-4-penten-2-ylidene}benzamide

  • Molecular FormulaC24H25N9O7
  • Average mass551.511 Da
  • Monoisotopic mass551.187683 Da
  • ChemSpider ID95623817

More details:

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

4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-N-{(2Z,4E)-1,1,5-trihydroxy-5-[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]-4-penten-2-yliden}benzamid [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}-N-{(2Z,4E)-1,1,5-trihydroxy-5-[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]-4-penten-2-ylidene}benzamide [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-ptéridinyl)méthyl](méthyl)amino}-N-{(2Z,4E)-1,1,5-trihydroxy-5-[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]-4-pentén-2-ylidène}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-N-[(1Z,3E)-4-[(2,3-dihydro-5-hydroxy-2-oxo-1H-pyrrol-1-yl)oxy]-1-(dihydroxymethyl)-4-hydroxy-3-buten-1-ylidene]- [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: 935.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.5±37.1 °C
Index of Refraction: 1.757
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.51
Polar Surface Area: 247 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 78.6±7.0 dyne/cm
Molar Volume: 332.1±7.0 cm3

Click to predict properties on the Chemicalize site


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