ChemSpider 2D Image | (6R)-1,4-Dideoxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-[(phosphonooxy)methyl]-beta-D-glycero-hexo-2,3-diulo-3,6-furanosyl | C12H17N2O9P

(6R)-1,4-Dideoxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-[(phosphonooxy)methyl]-β-D-glycero-hexo-2,3-diulo-3,6-furanosyl

  • Molecular FormulaC12H17N2O9P
  • Average mass364.245 Da
  • Monoisotopic mass364.067169 Da
  • ChemSpider ID67033680

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R)-1,4-Dideoxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-[(phosphonooxy)methyl]-β-D-glycero-hexo-2,3-diulo-3,6-furanosyl [ACD/IUPAC Name]
(6R)-1,4-Didesoxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-[(phosphonooxy)methyl]-β-D-glycero-hexo-2,3-diulo-3,6-furanosyl [German] [ACD/IUPAC Name]
(6R)-1,4-Didésoxy-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-[(phosphonooxy)méthyl]-β-D-glycéro-hexo-2,3-diulo-3,6-furanosyl [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(1,4-dideoxy-7-O-phosphono-β-D-erythro-2,3-heptodiulo-3,6-furanosyl)-5-methyl- [ACD/Index Name]
Acetylthymidin-5'-phosphat

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -5.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 224.5±3.0 cm3

Click to predict properties on the Chemicalize site


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