ChemSpider 2D Image | TDP-actinospectose | C16H24N2O15P2

TDP-actinospectose

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.314 Da
  • Monoisotopic mass546.065186 Da
  • ChemSpider ID58145539

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3S,6R)-3-hydroxy-6-methyl-4-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-pre ferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(2R,3S,6R)-3-hydroxy-6-methyl-4-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-prefer red name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de (2R,3S,6R)-3-hydroxy-6-méthyl-4-oxotétrahydro-2H-pyran-2-y le (non-preferred name) [French] [ACD/IUPAC Name]
TDP-actinospectose
5-methyluridine 5'-[3-(4,6-dideoxy-α-D-erythro-hexopyranos-3-ulosyl) dihydrogen diphosphate]
E'TDP-3-keto-4,6-dideoxy-d-glucose'
TDP-3-keto-4,6-dideoxyglucose

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

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: -3.76
ACD/LogD (pH 5.5): -8.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
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

Click to predict properties on the Chemicalize site


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