ChemSpider 2D Image | (6S)-3-Deoxy-6-[(1S)-1-hydroxy-2-oxoethyl]-beta-L-erythro-hex-2-ulopyranosonate | C8H11O8

(6S)-3-Deoxy-6-[(1S)-1-hydroxy-2-oxoethyl]-β-L-erythro-hex-2-ulopyranosonate

  • Molecular FormulaC8H11O8
  • Average mass235.169 Da
  • Monoisotopic mass235.045944 Da
  • ChemSpider ID58145529

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S)-3-Deoxy-6-[(1S)-1-hydroxy-2-oxoethyl]-β-L-erythro-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6S)-3-Desoxy-6-[(1S)-1-hydroxy-2-oxoethyl]-β-L-erythro-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6S)-3-Désoxy-6-[(1S)-1-hydroxy-2-oxoéthyl]-β-L-érythro-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
D-manno-Oct-7-ulopyranosuronic acid, 6-deoxy-, ion(1-), (7R)- [ACD/Index Name]
(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate
(7R)-6-deoxy-D-manno-oct-7-ulopyranosuronate
(7R)-6-deoxy-D-manno-oct-7-ulosuronate
3,8-dideoxy-8-oxo-α-D-manno-octulosonate
3-deoxy-α-D-oct-2,8-diulopyranosonate
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid anion obtained by deprotonation of the carboxy group of (7R)-6-deoxy-D-manno-oct-7-ulosuronic acid; major species at pH 7.3. ChEBI CHEBI:87090

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

Density:
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 237.2±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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