ChemSpider 2D Image | cladoniamide F | C21H16ClN3O4

cladoniamide F

  • Molecular FormulaC21H16ClN3O4
  • Average mass409.822 Da
  • Monoisotopic mass409.082947 Da
  • ChemSpider ID34448993

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-9-Chlor-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
(7R)-9-Chloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7R)-9-Chloro-7-hydroxy-13-méthoxy-N-méthyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
6H-Pyrido[1,2-a:3,4-b']diindole-7-carboxamide, 9-chloro-7,12-dihydro-7-hydroxy-13-methoxy-N-methyl-6-oxo-, (7R)- [ACD/Index Name]
cladoniamide F
(7R)-9-chloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole-7-carboxamide
E'AGN-PC-04YR2H'
  • Miscellaneous

    • Chemical Class:

      An organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of <ital>Streptomyces uncialis</ital>. ChEBI CHEBI:84371
      An organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84371, CHEBI:84371

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

Density: 1.6±0.1 g/cm3
Boiling Point: 794.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.5±32.9 °C
Index of Refraction: 1.747
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.88
ACD/KOC (pH 5.5): 635.68
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.25
ACD/KOC (pH 7.4): 628.71
Polar Surface Area: 96 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 259.4±7.0 cm3

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