ChemSpider 2D Image | 4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z,4Z)-1,1,5-trihydroxy-5-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]-4-penten-2-ylidene}benzamide | C24H27N9O8

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

  • Molecular FormulaC24H27N9O8
  • Average mass569.527 Da
  • Monoisotopic mass569.198242 Da
  • ChemSpider ID95552884

More details:

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

4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z,4Z)-1,1,5-trihydroxy-5-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-yliden)amino]-4-penten-2-yliden}benzamid [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z,4Z)-1,1,5-trihydroxy-5-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]-4-penten-2-ylidene}benzamide [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-ptéridinyl)méthyl]amino}-N-{(2Z,4Z)-1,1,5-trihydroxy-5-[(Z)-(1,1,5,5-tétrahydroxy-4-pentén-2-ylidène)amino]-4-pentén-2-ylidène}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-N-[(1Z,3Z)-1-(dihydroxymethyl)-4-[[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]amino]-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: 984.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.4±3.0 kJ/mol
Flash Point: 549.4±37.1 °C
Index of Refraction: 1.751
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.24
Polar Surface Area: 299 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 81.8±7.0 dyne/cm
Molar Volume: 337.4±7.0 cm3

Click to predict properties on the Chemicalize site


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