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Search term: OLUPOJQIFXQXIT-CVYQJGLWSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Deoxy-6-O-phosphonato-D-threo-hex-5-ulosonate | C6H8O9P

2-Deoxy-6-O-phosphonato-D-threo-hex-5-ulosonate

  • Molecular FormulaC6H8O9P
  • Average mass255.098 Da
  • Monoisotopic mass254.992233 Da
  • ChemSpider ID26330978

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Deoxy-6-O-phosphonato-D-threo-hex-5-ulosonate [ACD/IUPAC Name]
2-Désoxy-6-O-phosphonato-D-thréo-hex-5-ulosonate [French] [ACD/IUPAC Name]
D-threo-5-Hexulosonic acid, 2-deoxy-, 6-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
(3R,4S)-3,4-dihydroxy-5-oxo-6-(phosphonatooxy)hexanoate
6-phospho-5-dehydro-2-deoxy-D-gluconate
6-phosphonato-5-dehydro-2-deoxy-D-gluconate
6-phosphonato-5-dehydro-2-deoxy-D-gluconate trianion
6-phosphonato-5-dehydro-2-deoxy-D-gluconate(3-)
  • Miscellaneous

    • Chemical Class:

      Trianion of 6-phospho-5-dehydro-2-deoxy-D-gluconic acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3. ChEBI CHEBI:57949

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

Density:
Boiling Point: 684.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 367.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -7.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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