ChemSpider 2D Image | 1-(5,6-Dideoxy-6-phosphono-beta-D-ribo-hexofuranosyl)-6-(2-naphthyl)-2,4(1H,3H)-pyrimidinedione | C20H21N2O8P

1-(5,6-Dideoxy-6-phosphono-β-D-ribo-hexofuranosyl)-6-(2-naphthyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC20H21N2O8P
  • Average mass448.363 Da
  • Monoisotopic mass448.103546 Da
  • ChemSpider ID25947636

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(5,6-Dideoxy-6-phosphono-β-D-ribo-hexofuranosyl)-6-(2-naphthyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(5,6-Didesoxy-6-phosphono-β-D-ribo-hexofuranosyl)-6-(2-naphthyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(5,6-Didésoxy-6-phosphono-β-D-ribo-hexofuranosyl)-6-(2-naphtyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2-((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(naphthalen-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)ethylphosphonic acid
2,4(1H,3H)-Pyrimidinedione, 1-(5,6-dideoxy-6-phosphono-β-D-ribo-hexofuranosyl)-6-(2-naphthalenyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 84.9±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

Click to predict properties on the Chemicalize site


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