ChemSpider 2D Image | (2xi)-D-gluco-heptonate | C7H13O8

(2ξ)-D-gluco-heptonate

  • Molecular FormulaC7H13O8
  • Average mass225.174 Da
  • Monoisotopic mass225.061584 Da
  • ChemSpider ID26331508

  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2ξ)-D-gluco-heptonate
(3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoat [German] [ACD/IUPAC Name]
(3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoate [ACD/IUPAC Name]
(3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoate [French] [ACD/IUPAC Name]
D-gluco-Heptonic acid, ion(1-), (2ξ)- [ACD/Index Name]
(2ξ)-D-glycero-D-gulo-heptonate
(2ξ)-D-glycero-D-gulo-heptonate(1-)
(2ξ)-D-glycero-D-ido-heptonate
(2ξ)-D-glycero-D-ido-heptonate(1-)

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

CHEBI:59200 [DBID]
  • Miscellaneous

    • Chemical Class:

      The monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2xi)-D-gluco-heptonic acid. ChEBI CHEBI:59200

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

Density:
Boiling Point: 727.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 407.9±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability:
Surface Tension:
Molar Volume:

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