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Search term: XBUYIELOLLPBOC-PHDIDXHHSA-L (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Deoxy-6-O-phosphonato-D-threo-hexo-2,5-diulose | C6H9O8P

1-Deoxy-6-O-phosphonato-D-threo-hexo-2,5-diulose

  • Molecular FormulaC6H9O8P
  • Average mass240.106 Da
  • Monoisotopic mass240.004593 Da
  • ChemSpider ID26331404

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Deoxy-6-O-phosphonato-D-threo-hexo-2,5-diulose [ACD/IUPAC Name]
1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate(2-)
1-Desoxy-6-O-phosphonato-D-threo-hexo-2,5-diulose [German] [ACD/IUPAC Name]
1-Désoxy-6-O-phosphonato-D-thréo-hexo-2,5-diulose [French] [ACD/IUPAC Name]
D-threo-2,5-Hexodiulose, 1-deoxy-, 6-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
(3S,4S)-3,4-dihydroxy-1-(phosphonatooxy)hexane-2,5-dione
1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate

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

CHEBI:58861 [DBID]
  • Miscellaneous

    • Chemical Class:

      Dianion of 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate arising from deprotonation of both of the phosphate OH groups. ChEBI CHEBI:58861

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

Density:
Boiling Point: 582.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 306.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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