ChemSpider 2D Image | P(1),P(4)-bis(5'-xanthosyl) tetraphosphate | C20H26N8O23P4

P(1),P(4)-bis(5'-xanthosyl) tetraphosphate

  • Molecular FormulaC20H26N8O23P4
  • Average mass870.355 Da
  • Monoisotopic mass870.006104 Da
  • ChemSpider ID389293

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{Oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogéno(phosphonate)] de bis{[(2R,3S,4R,5R)-5-(2,6-dioxo-1,2,3,6-tétrahydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} {oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen (phosphonate)] [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-{oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen(phosphonat)] [German] [ACD/IUPAC Name]
P(1),P(4)-bis(5'-xanthosyl) tetraphosphate
[(2R,3S,4R,5R)-5-(2,6-dioxo-1,3-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[({[(2R,3S,4R,5R)-5-(2,6-dioxo-1,3-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphinic acid
{[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid
P1,P4-Bis(5'-xanthosyl) tetraphosphate
xanthosine(5')tetraphospho(5')xanthosine
XppppX

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

C04392 [DBID]
  • Miscellaneous

    • Chemical Class:

      A purine ribonucleoside 5'-tetraphosphate compound having 5'-xanthosyl residues at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>4</smallsup>-positions. ChEBI CHEBI:28400
      A purine ribonucleoside 5'-tetraphosphate compound having 5'-xanthosyl residues at the P(1)- and P(4)-positions. ChEBI CHEBI:28400

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.989
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 31
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.24
ACD/LogD (pH 5.5): -14.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 486 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 209.1±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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