ChemSpider 2D Image | [(2R,5S)-5-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl [(2S)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl hydrogen phosphate | C20H23N4O10P

[(2R,5S)-5-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl [(2S)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl hydrogen phosphate

  • Molecular FormulaC20H23N4O10P
  • Average mass510.391 Da
  • Monoisotopic mass510.115173 Da
  • ChemSpider ID411496

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(2R,5S)-5-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl [(2S)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl hydrogen phosphate [ACD/IUPAC Name]
[(2R,5S)-5-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methyl-[(2S)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,5S)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]méthyle et de [(2S)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl ]méthyle [French] [ACD/IUPAC Name]
Ammonium bis(3'-deoxy-2',3'-didehydrothymidin-5'-O-yl) monophosphate

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

AIDS058257 [DBID]
AIDS-058257 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -5.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 337.0±3.0 cm3

Click to predict properties on the Chemicalize site


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