ChemSpider 2D Image | 4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide | C27H27N7O8S

4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide

  • Molecular FormulaC27H27N7O8S
  • Average mass609.610 Da
  • Monoisotopic mass609.164185 Da
  • ChemSpider ID95718774

More details:

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

4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-yliden]benzamid [German] [ACD/IUPAC Name]
4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide [ACD/IUPAC Name]
4-({[(2-Amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl][(4-méthylphényl)sulfonyl]amino}méthyl)-N-[(2Z)-1,1,5,5-tétrahydroxy-4-pentén-2-ylidène]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino]methyl]-N-[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]- [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: 951.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.1±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.10
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.89
Polar Surface Area: 249 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 386.4±7.0 cm3

Click to predict properties on the Chemicalize site


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