ChemSpider 2D Image | GDP-4-keto-6-deoxy-D-mannose | C16H23N5O15P2

GDP-4-keto-6-deoxy-D-mannose

  • Molecular FormulaC16H23N5O15P2
  • Average mass587.326 Da
  • Monoisotopic mass587.066589 Da
  • ChemSpider ID388554

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-prefe rred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferre d name) [German] [ACD/IUPAC Name]
18186-48-6 [RN]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4R,6R)-3,4-dihydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
GDP-4-dehydro-6-deoxy-α-D-mannose
GDP-4-keto-6-deoxy-D-mannose
GDP-4-oxo-6-deoxymannose
[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy})phosphinic acid
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid
[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4S,6S)-3,4
More...

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

C01222 [DBID]
CHEBI:16955 [DBID]
  • Miscellaneous

    • Chemical Class:

      A GDP-sugar having 4-dehydro-6-deoxy-<stereo>alpha</stereo>-<stereo>D</stereo>-mannose as the sugar portion. ChEBI CHEBI:16955
      A GDP-sugar having 4-dehydro-6-deoxy-alpha-D-mannose as the sugar portion. ChEBI CHEBI:16955

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.869
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 146.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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