ChemSpider 2D Image | [(2R,3S,5R)-5-(6-Amino-2-oxo-2,3-dihydro-4-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate (no n-preferred name) | C18H25N6O10P

[(2R,3S,5R)-5-(6-Amino-2-oxo-2,3-dihydro-4-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate (no n-preferred name)

  • Molecular FormulaC18H25N6O10P
  • Average mass516.399 Da
  • Monoisotopic mass516.136963 Da
  • ChemSpider ID8273567

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-5-(6-Amino-2-oxo-2,3-dihydro-4-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate (no n-preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-5-(6-Amino-2-oxo-2,3-dihydro-4-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl-(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanylhydrogenphosphat (non-p referred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,5R)-5-(6-amino-2-oxo-2,3-dihydro-4-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxyméthyl)tétrahydro-3-f uranyle [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: 1.801
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.70
ACD/LogD (pH 5.5): -8.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 104.9±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

Click to predict properties on the Chemicalize site


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