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Search term: OVXKSNAROFCXFB-INFSMZHSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydro xytetrahydro-3-furanyl dihydrogen phosphate (non-preferred name) | C20H26N10O14P2

(2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydro xytetrahydro-3-furanyl dihydrogen phosphate (non-preferred name)

  • Molecular FormulaC20H26N10O14P2
  • Average mass692.427 Da
  • Monoisotopic mass692.110535 Da
  • ChemSpider ID61709058

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydro xytetrahydro-3-furanyl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydro xytetrahydro-3-furanyldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-{[(hydroxy{[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-3-furanyl]oxy}phosphoryl)oxy]meth yl}tetrahydro-3-furanyl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-{[(hydroxy{[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-3-furanyl]oxy}phosphoryl)oxy]meth yl}tetrahydro-3-furanyldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-5-(6-amin o-9H-purin-9-yl)-4-hydroxytétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-{[(hydroxy{[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxyméthyl)-2-(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)tétrahydro-3-furanyl ]oxy}phosphoryl)oxy]méthyl}tétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
2',5'-Gpap
9BG
Gp[2'-5']Ap[3']
  • Miscellaneous

    • Chemical Class:

      A (2'->5')-dinucleotide comprising guanosine and adenosine connected by a 2'->5' linkage and with a phosphate group at the 3'-terminus. ChEBI CHEBI:143097

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.006
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 24
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.82
ACD/LogD (pH 5.5): -8.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 374 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 169.1±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

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