ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-6-oxohexanoate (non-preferre d name) | C15H22N2O18P2

[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-6-oxohexanoate (non-preferre d name)

  • Molecular FormulaC15H22N2O18P2
  • Average mass580.285 Da
  • Monoisotopic mass580.034302 Da
  • ChemSpider ID21587185

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3S,4S,5R)-3,4,5-Trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-6-oxohexanoate de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-pref erred name) [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-6-oxohexanoate (non-preferre d name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2S,3S,4S,5R)-3,4,5-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-6-oxohexanoat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -9.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 121.8±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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