ChemSpider 2D Image | rhizopycnolide A | C19H20O9

rhizopycnolide A

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID58828695

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3R,4S,4'R)-1,4',7-Trihydroxy-3,9-dimethoxy-1-methyl-2,3,3',4'-tetrahydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione [ACD/IUPAC Name]
rhizopycnolide A
Spiro[1H-dibenzo[b,d]pyran-4(6H),2'(5'H)-furan]-5',6-dione, 2,3,3',4'-tetrahydro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-, (1S,3R,4S,4'R)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A benzochromene that is benzo[c]chromen-6-one which is substituted by hydroxy groups at positions 1, 4 and 7, methoxy groups at positions 3 and 9, a methyl group at position 1, and a 2-ca; rboxy-2-hyd roxyethyl group at position 4, and in which the carboxy group has undergone condensation with the 4-hydroxy group to afford the corresponding spirocyclic lactone. It is active against the pathogenic b acteria Agrobacterium tumefaciens, Bacillus subtilis, Pseudomonas lachrymans, Ralstonia solanacearum, Staphylococcus hemolyticus, and Xanthomonas vesicatoria, with MIC values in the range 25-100 mug/m L. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141316
      A benzochromene that is benzo[c]chromen-6-one which is substituted by hydroxy groups at positions 1, 4 and 7, methoxy groups at positions 3 and 9, a methyl group at position 1, and a 2-carboxy-2-hydro xyethyl group at position 4, and in which the carboxy group has undergone condensation with the 4-hydroxy group to afford the corresponding spirocyclic lactone. It is active against the pathogenic bac teria Agrobacterium tumefaciens, Bacillus subtilis, Pseudomonas lachrymans, Ralstonia solanacearum, Staphylococcus hemolyticus, and Xanthomonas vesicatoria, with MIC values in the range 25-100 mug/mL. ChEBI CHEBI:141316

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

Density: 1.6±0.1 g/cm3
Boiling Point: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 257.8±26.4 °C
Index of Refraction: 1.655
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.67
ACD/KOC (pH 5.5): 258.27
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 71.30
Polar Surface Area: 132 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 250.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement