ChemSpider 2D Image | 1,9-Bis(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine | C15H23N5O14P2

1,9-Bis(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC15H23N5O14P2
  • Average mass559.316 Da
  • Monoisotopic mass559.071655 Da
  • ChemSpider ID24808237

More details:






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

1,9-Bis(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
1,9-Bis(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
1,9-Bis(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
6H-Purin-6-imine, 1,9-dihydro-1,9-bis(5-O-phosphonopentofuranosyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 1068.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 599.8±37.1 °C
Index of Refraction: 1.895
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 159.8±7.0 dyne/cm
Molar Volume: 227.0±7.0 cm3

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