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Search term: IZZNRKJLBIYBJN-HXUQBWEZSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | (6R)-3-Deoxy-6-[(1R)-1-hydroxy-2-(phosphonatooxy)ethyl]-beta-L-erythro-hex-2-ulopyranosonate | C8H12O11P

(6R)-3-Deoxy-6-[(1R)-1-hydroxy-2-(phosphonatooxy)ethyl]-β-L-erythro-hex-2-ulopyranosonate

  • Molecular FormulaC8H12O11P
  • Average mass315.150 Da
  • Monoisotopic mass315.013367 Da
  • ChemSpider ID58145458

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-3-Deoxy-6-[(1R)-1-hydroxy-2-(phosphonatooxy)ethyl]-β-L-erythro-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6R)-3-Desoxy-6-[(1R)-1-hydroxy-2-(phosphonatooxy)ethyl]-β-L-erythro-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6R)-3-Désoxy-6-[(1R)-1-hydroxy-2-(phosphonatooxy)éthyl]-β-L-érythro-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
α-D-manno-2-Octulopyranosonato(3-), 3-deoxy-, 8-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
2-dehydro-3-deoxy-D-octonate 8-P
2-dehydro-3-deoxy-D-octonate 8-phosphate
3-deoxy-8-O-phosphonato-α-D-manno-oct-2-ulopyranosonate
3-deoxy-D-manno-octulosonate 8-P
3-deoxy-α-D-manno-2-octulosonate-8-phosphate
3-deoxy-α-D-manno-2-octulosonate-8-phosphate(3-)
More...
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid anion obtained by deprotonation of the carboxy and phospho groups of 3-deoxy-alpha-D-manno-2-octulosonic acid 8-phosphate; major ; species at pH 7.3. ChEBI CHEBI:85985
      A carbohydrate acid anion obtained by deprotonation of the carboxy and phospho groups of 3-deoxy-alpha-D-manno-2-octulosonic acid 8-phosphate; major species at pH 7.3. ChEBI CHEBI:85985

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

Density:
Boiling Point: 752.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 409.1±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -8.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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