ChemSpider 2D Image | (2R)-5,7-Dichloro-2'-methoxy-6'-(methoxycarbonyl)-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]dien]-4-olate | C17H11Cl2O7

(2R)-5,7-Dichloro-2'-methoxy-6'-(methoxycarbonyl)-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]dien]-4-olate

  • Molecular FormulaC17H11Cl2O7
  • Average mass398.172 Da
  • Monoisotopic mass396.988739 Da
  • ChemSpider ID128920048

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5,7-Dichloro-2'-methoxy-6'-(methoxycarbonyl)-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]dien]-4-olate [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclohexa[2,5]diene]-2'-carboxylic acid, 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester, ion(1-), (2R)- [ACD/Index Name]
(+)-geodin
(+)-geodin(1-)
estin(1-)
geodin(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of (+)-geodin, arising from the deprotonation of the hydroxy group. Major species at pH 7.3. ChEBI CHEBI:150868

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

Density:
Boiling Point: 652.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 348.2±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1213.27
ACD/KOC (pH 5.5): 4050.38
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 24.89
ACD/KOC (pH 7.4): 83.09
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

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