Found 1 result

Search term: QGSSIXQRPAELEQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2r,5s)-5-[(1r)-1,2-Dihydroxyethyl]-3,3,4,4-Tetrafluorotetrahydrofuran-2-Yl [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate (Non-Preferred Name) | C15H20F4N2O15P2

(2r,5s)-5-[(1r)-1,2-Dihydroxyethyl]-3,3,4,4-Tetrafluorotetrahydrofuran-2-Yl [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate (Non-Preferred Name)

  • Molecular FormulaC15H20F4N2O15P2
  • Average mass606.265 Da
  • Monoisotopic mass606.027527 Da
  • ChemSpider ID35035290

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydro-2-furanyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate ( non-preferred name) [ACD/IUPAC Name]
(2r,5s)-5-[(1r)-1,2-Dihydroxyethyl]-3,3,4,4-Tetrafluorotetrahydrofuran-2-Yl [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate (Non-Preferred Name)
(2R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,3,4,4-tetrafluortetrahydro-2-furanyl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non- preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,5S)-5-[(1R)-1,2-dihydroxyéthyl]-3,3,4,4-tétrafluorotétrahydro-2-furanyle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furany l]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
3UA

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: 1.589
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -8.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

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