ChemSpider 2D Image | [(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl (2r,3r,4s,5s,6r)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate | C16H26N2O15P2

[(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl (2r,3r,4s,5s,6r)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate

  • Molecular FormulaC16H26N2O15P2
  • Average mass548.330 Da
  • Monoisotopic mass548.080811 Da
  • ChemSpider ID19613787
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-pre ferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-prefer red name) [German] [ACD/IUPAC Name]
[(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl (2r,3r,4s,5s,6r)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate
Dihydrogénodiphosphate de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-y le (non-preferred name) [French] [ACD/IUPAC Name]
18T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 108.7±0.0 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -8.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 43.1±0.0 10-24cm3
Surface Tension: 96.1±0.0 dyne/cm
Molar Volume: 307.1±0.0 cm3

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