ChemSpider 2D Image | Elloramycin A | C32H36O15

Elloramycin A

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID8185147

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6aR,7S,10aR)-3-[(6-Désoxy-2,3,4-tri-O-méthyl-α-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-diméthoxy-1-méthyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Naphthacenecarboxylic acid, 3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7S,1 0aR)- [ACD/Index Name]
97218-42-3 [RN]
Elloramycin A
Methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(6aR,7S,10aR)-3-[(6-desoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracencarboxylat [German] [ACD/IUPAC Name]
Elloramycin
methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate
  • Miscellaneous

    • Chemical Class:

      A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-<element>O</element>-methyl-<stereo>alpha </stereo>-<stereo>L</stereo>-rhamnosyl and methyl groups respectively. ChEBI CHEBI:78288
      A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha; -L-rhamnosyl and methyl g roups respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78288
      A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl gro ups respectively. ChEBI CHEBI:78288

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

Density: 1.5±0.1 g/cm3
Boiling Point: 858.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 273.7±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 158.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 65.05
ACD/KOC (pH 5.5): 486.65
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 9.52
Polar Surface Area: 203 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 446.9±5.0 cm3

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