ChemSpider 2D Image | ADENOSINE-5'-PENTAPHOSPHATE | C10H18N5O19P5

ADENOSINE-5'-PENTAPHOSPHATE

  • Molecular FormulaC10H18N5O19P5
  • Average mass667.141 Da
  • Monoisotopic mass666.928406 Da
  • ChemSpider ID167906
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

14535-90-1 [RN]
5'-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine 5'-(hexahydrogen pentaphosphate)
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
ADENOSINE-5'-PENTAPHOSPHATE
[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
5FA
5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine
More...

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

CHEBI:40096 [DBID]
AIDS164224 [DBID]
AIDS-164224 [DBID]
  • Miscellaneous
    • Chemical Class:

      A nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position. ChEBI CHEBI:40096

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

Density: 2.8±0.1 g/cm3
Boiling Point: 1086.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.0±3.0 kJ/mol
Flash Point: 610.7±37.1 °C
Index of Refraction: 1.905
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.72
ACD/LogD (pH 5.5): -15.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 421 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 241.9±7.0 dyne/cm
Molar Volume: 235.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement