ChemSpider 2D Image | 9-(5-O-Phosphono-beta-D-xylofuranosyl)-9H-purin-6-ol | C10H13N4O8P

9-(5-O-Phosphono-β-D-xylofuranosyl)-9H-purin-6-ol

  • Molecular FormulaC10H13N4O8P
  • Average mass348.206 Da
  • Monoisotopic mass348.047089 Da
  • ChemSpider ID65792891

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6H-Purin-6-one, 1,9-dihydro-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
5'-Inosins??ure
Inosinmonophosphat

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

Density: 2.3±0.1 g/cm3
Boiling Point: 793.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 433.8±35.7 °C
Index of Refraction: 1.882
Molar Refractivity: 68.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -5.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 137.4±7.0 dyne/cm
Molar Volume: 150.1±7.0 cm3

Click to predict properties on the Chemicalize site


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