ChemSpider 2D Image | Bis(5'-guanosyl) tetraphosphate | C20H28N10O21P4

Bis(5'-guanosyl) tetraphosphate

  • Molecular FormulaC20H28N10O21P4
  • Average mass868.386 Da
  • Monoisotopic mass868.038086 Da
  • ChemSpider ID144813
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl {oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen (phosphonate)] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl- {oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen(phosphonat)] [German] [ACD/IUPAC Name]
{Oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogéno(phosphonate)] de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(2-amino-6-ox o-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
21-19-2 [RN]
Bis(5'-guanosyl) tetraphosphate
P(1),P(4)-bis(5'-guanosyl) tetraphosphate
P1,P4-bis(5'-guanosyl) tetraphosphate
[5-(2-amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[5-(2-amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinate
[5-(2-amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[5-(2-amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid
(ppG)2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C01261 [DBID]
CHEBI:15883 [DBID]
  • Miscellaneous
    • Chemical Class:

      A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>4</smallsup>-positions. ChEBI CHEBI:15883

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.014
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 31
#H bond donors: 14
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -5.52
ACD/LogD (pH 5.5): -13.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 505 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 213.9±7.0 dyne/cm
Molar Volume: 314.2±7.0 cm3

Click to predict properties on the Chemicalize site






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