ChemSpider 2D Image | 6-Amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydro-2-furanyl] -7H-purin-9-ium | C15H25N5O17P3

6-Amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydro-2-furanyl] -7H-purin-9-ium

  • Molecular FormulaC15H25N5O17P3
  • Average mass640.303 Da
  • Monoisotopic mass640.045288 Da
  • ChemSpider ID4450010

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

6-Amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydro-2-furanyl] -7H-purin-9-ium [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydro-2-furanyl] -7H-purin-9-ium [German] [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytétrahydro-2-furanyl]méthoxy}phosphoryl]oxy}phosphoryl]oxy}méthyl)-3-(phosphonooxy)tétrahydro-2-furanyl] -7H-purin-9-ium [French] [ACD/IUPAC Name]
2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE
APX

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 369 Å2
Polarizability:
Surface Tension:
Molar Volume:

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