ChemSpider 2D Image | {(2R,3S,5R)-3-Hydroxy-5-[5-(~13~C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methyl (2R,3S,5R)-2-(hydroxymethyl)-5-[5-(~13~C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tet rahydro-3-furanyl hydrogen phosphate (non-preferred name) | C1813C2H27N4O12P

{(2R,3S,5R)-3-Hydroxy-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methyl (2R,3S,5R)-2-(hydroxymethyl)-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tet rahydro-3-furanyl hydrogen phosphate (non-preferred name)

  • Molecular FormulaC1813C2H27N4O12P
  • Average mass548.407 Da
  • Monoisotopic mass548.143005 Da
  • ChemSpider ID128918777

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(2R,3S,5R)-3-Hydroxy-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methyl (2R,3S,5R)-2-(hydroxymethyl)-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tet rahydro-3-furanyl hydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
{(2R,3S,5R)-3-Hydroxy-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methyl-(2R,3S,5R)-2-(hydroxymethyl)-5-[5-(13C)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tet rahydro-3-furanylhydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de {(2R,3S,5R)-3-hydroxy-5-[5-(13C)méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tétrahydro-2-furanyl}méthyle et de (2R,3S,5R)-2-(hydroxyméthyl)-5-[5-(13C)méthyl-2,4-dioxo-3,4- dihydro-1(2H)-pyrimidinyl]tétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

Click to predict properties on the Chemicalize site


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