ChemSpider 2D Image | 4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}-N-[(4Z)-1,1,5-trihydroxy-5-{[(4Z)-1,1,5-trihydroxy-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1,4-pentadien-2-yl]amino}-1,4 -pentadien-2-yl]benzamide | C30H35N9O12

4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}-N-[(4Z)-1,1,5-trihydroxy-5-{[(4Z)-1,1,5-trihydroxy-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1,4-pentadien-2-yl]amino}-1,4 -pentadien-2-yl]benzamide

  • Molecular FormulaC30H35N9O12
  • Average mass713.652 Da
  • Monoisotopic mass713.240540 Da
  • ChemSpider ID95683013

More details:

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

4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}-N-[(4Z)-1,1,5-trihydroxy-5-{[(4Z)-1,1,5-trihydroxy-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1,4-pentadien-2-yl]amino}-1,4 -pentadien-2-yl]benzamid [German] [ACD/IUPAC Name]
4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}-N-[(4Z)-1,1,5-trihydroxy-5-{[(4Z)-1,1,5-trihydroxy-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1,4-pentadien-2-yl]amino}-1,4 -pentadien-2-yl]benzamide [ACD/IUPAC Name]
4-{[(2-Amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}-N-[(4Z)-1,1,5-trihydroxy-5-{[(4Z)-1,1,5-trihydroxy-5-{[(4E)-1,1,5-trihydroxy-5-méthoxy-1,4-pentadién-2-yl]amino}-1,4-pentadién-2-yl]amino}-1,4 -pentadién-2-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]-N-[(3Z)-1-(dihydroxymethylene)-4-[[(3Z)-1-(dihydroxymethylene)-4-[[(3E)-1-(dihydroxymethylene)-4-hydroxy-4-methoxy-3-buten-1-yl]ami no]-4-hydroxy-3-buten-1-yl]amino]-4-hydroxy-3-buten-1-yl]- [ACD/Index 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: 1.703
Molar Refractivity: 170.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 16
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.67
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 350 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 438.6±7.0 cm3

Click to predict properties on the Chemicalize site


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