ChemSpider 2D Image | {(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-[(hydroxy{[(2R,3S,4R)-3-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}m ethyl dihydrogen phosphate | C19H27N5O14P2

{(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-[(hydroxy{[(2R,3S,4R)-3-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}m ethyl dihydrogen phosphate

  • Molecular FormulaC19H27N5O14P2
  • Average mass611.390 Da
  • Monoisotopic mass611.102966 Da
  • ChemSpider ID13097844

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-[(hydroxy{[(2R,3S,4R)-3-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}m ethyl dihydrogen phosphate [ACD/IUPAC Name]
{(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-[(hydroxy{[(2R,3S,4R)-3-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}m ethyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de {(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-[(hydroxy{[(2R,3S,4R)-3-hydroxy-4-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosphoryl)ox y]tétrahydro-2-furanyl}méthyle [French] [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: 1.766
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.67
ACD/LogD (pH 5.5): -9.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 109.0±7.0 dyne/cm
Molar Volume: 299.5±7.0 cm3

Click to predict properties on the Chemicalize site


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