ChemSpider 2D Image | 6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[(hydroxy{[hydroxy({hydroxy[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]pho sphoryl}oxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydro-2-furanyl]-7H-purin-9-ium | C20H30N7O20P4

6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[(hydroxy{[hydroxy({hydroxy[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]pho sphoryl}oxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydro-2-furanyl]-7H-purin-9-ium

  • Molecular FormulaC20H30N7O20P4
  • Average mass812.382 Da
  • Monoisotopic mass812.049072 Da
  • ChemSpider ID4449883

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[(hydroxy{[hydroxy({hydroxy[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]pho sphoryl}oxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydro-2-furanyl]-7H-purin-9-ium [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[(hydroxy{[hydroxy({hydroxy[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]pho sphoryl}oxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydro-2-furanyl]-7H-purin-9-ium [German] [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[(hydroxy{[hydroxy({hydroxy[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosphoryl)oxy]pho sphoryl}oxy)phosphoryl]oxy}phosphoryl)oxy]méthyl}tétrahydro-2-furanyl]-7H-purin-9-ium [French] [ACD/IUPAC Name]

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: 27
#H bond donors: 11
#Freely Rotating Bonds: 17
#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: 435 Å2
Polarizability:
Surface Tension:
Molar Volume:

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