ChemSpider 2D Image | 4-O-(4-Deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-D-galactopyranuronate | C12H14O12

4-O-(4-Deoxy-α-L-threo-hex-4-enopyranuronosyl)-D-galactopyranuronate

  • Molecular FormulaC12H14O12
  • Average mass350.233 Da
  • Monoisotopic mass350.049622 Da
  • ChemSpider ID26330824

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

4-O-(4-Deoxy-α-L-threo-hex-4-enopyranuronosyl)-D-galactopyranuronate [ACD/IUPAC Name]
4-O-(4-Desoxy-α-L-threo-hex-4-enopyranuronosyl)-D-galactopyranuronat [German] [ACD/IUPAC Name]
4-O-(4-Désoxy-α-L-thréo-hex-4-énopyranuronosyl)-D-galactopyranuronate [French] [ACD/IUPAC Name]
D-Galactopyranuronic acid, 4-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-, ion(2-) [ACD/Index Name]
4-(4-deoxy-β-D-gluc-4-enosyluronate)-D-galacturonate dianion
4-(4-deoxy-β-D-gluc-4-enosyluronate)-D-galacturonate(2-)
4-(4-Deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate
4-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-D-galactopyranuronate
  • Miscellaneous

    • Chemical Class:

      Dianion of 4-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-D-galacturonic acid arising from deprotonation of both carboxy groups. ChEBI CHEBI:57544

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

Density:
Boiling Point: 753.3±60.0 °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: 284.5±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -6.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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