ChemSpider 2D Image | 3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate | C16H24N2O15P2

3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.314 Da
  • Monoisotopic mass546.065186 Da
  • ChemSpider ID665

More details:






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

3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de 3,4-dihydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle et de [3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
2'-deoxythymidinediphosphate-4-dehydro-6-deoxy-d-glucose
DTDP-DEOH-DEOXY-GLUCOSE
DTDP-DEOH-DEOXY-MANNOSE

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -9.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

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