ChemSpider 2D Image | [(2R,3S,4R,5R)-3-{[(R)-{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furanyl]me thyl hydrogen phosphonate (non-preferred name) | C19H26N8O13P2

[(2R,3S,4R,5R)-3-{[(R)-{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furanyl]me thyl hydrogen phosphonate (non-preferred name)

  • Molecular FormulaC19H26N8O13P2
  • Average mass636.403 Da
  • Monoisotopic mass636.109436 Da
  • ChemSpider ID61716226

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-3-{[(R)-{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furanyl]me thyl hydrogen phosphonate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3-{[(R)-{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furanyl]me thylhydrogenphosphonat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-{[{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxytetrahydro-2-fu ranyl]methyl hydrogen phosphonate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-{[{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxytetrahydro-2-fu ranyl]methylhydrogenphosphonat (non-preferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphonate de [(2R,3S,4R,5R)-3-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydrox ytétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Hydrogénophosphonate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-{[{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}- 4-hydroxytétrahydro-2-furanyl]méthyle (non-preferred name) [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: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.32
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: 341 Å2
Polarizability:
Surface Tension:
Molar Volume:

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