ChemSpider 2D Image | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE | C30H38N15O19P3

5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE

  • Molecular FormulaC30H38N15O19P3
  • Average mass1005.633 Da
  • Monoisotopic mass1005.168152 Da
  • ChemSpider ID395752

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphor yl]oxy}-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphor yl]oxy}-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2-furanyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
Dihydrogénophosphate de [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]m éthoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
25A
5'p-,2',5'-A-A-A
Adenylyl-(2'-5')-adenylyl-(2'-5')-adenylyl-(2'-5')-adenosine, 5'-monophosphate
CHEMBL414948
PA3
PAPAPA [Wiki]

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

AIDS042761 [DBID]
AIDS-042761 [DBID]

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: 2.014
Molar Refractivity: 204.0±0.5 cm3
#H bond acceptors: 34
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -10.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 525 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 167.1±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

Click to predict properties on the Chemicalize site


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