ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hydrogen (S)
-phosphate | C19H24N7O12P

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hydrogen (S) -phosphate

  • Molecular FormulaC19H24N7O12P
  • Average mass573.407 Da
  • Monoisotopic mass573.122070 Da
  • ChemSpider ID392072
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hydrogen (S) -phosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanylhydrogen(S)-p hosphat [German] [ACD/IUPAC Name]
Hydrogéno(S)-phosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxyméthyl) tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
UPA
URIDYLYL-2'-5'-PHOSPHO-ADENOSINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.890
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -6.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 126.8±7.0 dyne/cm
Molar Volume: 257.1±7.0 cm3

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