ChemSpider 2D Image | 7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one | C19H20N5O12P

7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one

  • Molecular FormulaC19H20N5O12P
  • Average mass541.362 Da
  • Monoisotopic mass541.084595 Da
  • ChemSpider ID4590883

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
7-(4-Carboxyphényl)-6,7-dihydroxy-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4,6,7-tétrahydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 7-(4-carboxyphenyl)-3,4,6,7-tetrahydro-6,7-dihydroxy-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
4-carboxyphenylglyoxal GMP
72209-16-6 [RN]
Benzoic acid, 4-(4,6,7,9-tetrahydro-6,7-dihydroxy-9-oxo-3-(5-O-phosphono-β-D-ribofuranosyl)-3H-imidazo(1,2-a)purin-7-yl)-
p-Carboxyphenylglyoxal GMP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 1029.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.7±3.0 kJ/mol
Flash Point: 576.6±37.1 °C
Index of Refraction: 1.903
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 132.7±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

Click to predict properties on the Chemicalize site


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