ChemSpider 2D Image | Diquafosol | C18H26N4O23P4


  • Molecular FormulaC18H26N4O23P4
  • Average mass790.307 Da
  • Monoisotopic mass789.993835 Da
  • ChemSpider ID130647
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source

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

{Oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogéno(phosphonate)] de bis{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
59985-21-6 [RN]
Bis{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} {oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen (phosphonate)] [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-{oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen(phosphonat)] [German] [ACD/IUPAC Name]
Diquafosol [INN] [USAN]
P(1),P(4)-bis(uridin-5'-yl) tetraphosphate
[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphinic acid

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

C06198 [DBID]
Ins 365 [DBID]
INS-365 [DBID]
KPY 998 [DBID]
  • Miscellaneous
    • Chemical Class:

      A pyrimidine ribonucleoside 5'-tetraphosphate compound having 5'-uridinyl residues at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>4</smallsup>-positions. ChEBI CHEBI:27791

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: 1.660
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 27
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -7.84
ACD/LogD (pH 5.5): -14.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 122.5±3.0 dyne/cm
Molar Volume: 386.5±3.0 cm3

Click to predict properties on the Chemicalize site