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

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

  • Molecular FormulaC30H35N9O12
  • Average mass713.652 Da
  • Monoisotopic mass713.240540 Da
  • ChemSpider ID95553951

  • Double-bond stereo - Double-bond stereo

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-{(2Z)-5-[(1,1-dihydroxy-5-oxo-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1-penten-2-yl)amino]-1,1-dihydroxy-5-oxo-2-penta nyliden}benzamid [German] [ACD/IUPAC Name]
4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}-N-{(2Z)-5-[(1,1-dihydroxy-5-oxo-5-{[(4E)-1,1,5-trihydroxy-5-methoxy-1,4-pentadien-2-yl]amino}-1-penten-2-yl)amino]-1,1-dihydroxy-5-oxo-2-penta nylidene}benzamide [ACD/IUPAC Name]
4-{[(2-Amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}-N-{(2Z)-5-[(1,1-dihydroxy-5-oxo-5-{[(4E)-1,1,5-trihydroxy-5-méthoxy-1,4-pentadién-2-yl]amino}-1-pentén-2-yl)amino]-1,1-dihydroxy-5-oxo-2-penta nylidène}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]-N-[(1Z)-1-(dihydroxymethyl)-4-[[1-(dihydroxymethylene)-4-[[(3E)-1-(dihydroxymethylene)-4-hydroxy-4-methoxy-3-buten-1-yl]amino]-4-ox obutyl]amino]-4-oxobutylidene]- [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: 13
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 344 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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