ChemSpider 2D Image | 4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z)-1,1-dihydroxy-5-oxo-5-[(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)amino]-2-pentanylidene}benzamide | C24H27N9O8

4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z)-1,1-dihydroxy-5-oxo-5-[(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)amino]-2-pentanylidene}benzamide

  • Molecular FormulaC24H27N9O8
  • Average mass569.527 Da
  • Monoisotopic mass569.198242 Da
  • ChemSpider ID95565746

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z)-1,1-dihydroxy-5-oxo-5-[(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)amino]-2-pentanyliden}benzamid [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-N-{(2Z)-1,1-dihydroxy-5-oxo-5-[(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)amino]-2-pentanylidene}benzamide [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-ptéridinyl)méthyl]amino}-N-{(2Z)-1,1-dihydroxy-5-oxo-5-[(1,1,5,5-tétrahydroxy-1,4-pentadién-2-yl)amino]-2-pentanylidène}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-N-[(1Z)-1-(dihydroxymethyl)-4-[[1-(dihydroxymethylene)-4,4-dihydroxy-3-buten-1-yl]amino]-4-oxobutylidene]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: -0.10
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 296 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 81.8±7.0 dyne/cm
Molar Volume: 337.4±7.0 cm3

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