ChemSpider 2D Image | [(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl phosphate | C6H9O9P

[(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl phosphate

  • Molecular FormulaC6H9O9P
  • Average mass256.105 Da
  • Monoisotopic mass255.999512 Da
  • ChemSpider ID26330981

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl phosphate [ACD/IUPAC Name]
[(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methylphosphat [German] [ACD/IUPAC Name]
Phosphate de [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxotétrahydro-2H-pyran-2-yl]méthyle [French] [ACD/IUPAC Name]
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl phosphate
6-O-phosphonato-D-glucono-1,5-lactone dianion
6-O-phosphonato-D-glucono-1,5-lactone(2-)
6-O-phosphono-D-glucono-1,5-lactone
6-phospho D-glucono-1,5-lactone
6-Phospho-D-glucono-1,5-lactone
6-phosphogluconolactone
More...
  • Miscellaneous

    • Chemical Class:

      Dianion of 6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57955

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

Density:
Boiling Point: 599.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 316.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -6.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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