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ChemSpider 2D Image | cyclic dehypoxanthinylfutalosinate(1-) | C14H13O7

cyclic dehypoxanthinylfutalosinate(1-)

  • Molecular FormulaC14H13O7
  • Average mass293.249 Da
  • Monoisotopic mass293.066681 Da
  • ChemSpider ID27471436

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3S,4R)-3,4,5-Trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylat [German] [ACD/IUPAC Name]
(2R,3S,4R)-3,4,5-Trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylate [ACD/IUPAC Name]
(2R,3S,4R)-3,4,5-Trihydroxy-4'-oxo-3',4,4',5-tétrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylate [French] [ACD/IUPAC Name]
cyclic dehypoxanthinylfutalosinate(1-)
Spiro[furan-2(3H),1'(2'H)-naphthalene]-6'-carboxylic acid, 3',4,4',5-tetrahydro-3,4,5-trihydroxy-4'-oxo-, ion(1-), (2R,3S,4R)- [ACD/Index Name]
cyclic dehypoxanthinylfutalosinate

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

CHEBI:64270 [DBID]
  • Miscellaneous

    • Chemical Class:

      A benzoate anion that is the conjugate base of cyclic dehypoxanthinylfutalosine, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:64270

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

Density:
Boiling Point: 630.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 243.8±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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