ChemSpider 2D Image | 1-{5-O-[{[{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione | C14H22N2O16P2

1-{5-O-[{[{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC14H22N2O16P2
  • Average mass536.276 Da
  • Monoisotopic mass536.044434 Da
  • ChemSpider ID167466

More details:






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

1-{5-O-[{[{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{5-O-[{[{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{5-O-[{[{[3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy[[hydroxy[[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
20230-91-5 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -9.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 122.1±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

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