ChemSpider 2D Image | Methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-{[(2S,3S,4R,5S,6S)-4,5,6-trimethoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6,6a,7,10,10a,11-hexahydro-2-tetracenecarbox ylate | C32H36O15

Methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-{[(2S,3S,4R,5S,6S)-4,5,6-trimethoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6,6a,7,10,10a,11-hexahydro-2-tetracenecarbox ylate

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID112237

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6aR,7S,10aR)-6a,7,12-Trihydroxy-8,10a-diméthoxy-1-méthyl-6,10,11-trioxo-3-{[(2S,3S,4R,5S,6S)-4,5,6-triméthoxy-3-méthyltétrahydro-2H-pyran-2-yl]oxy}-6,6a,7,10,10a,11-hexahydro-2-tétracènecarboxylate d e méthyle [French] [ACD/IUPAC Name]
Methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-{[(2S,3S,4R,5S,6S)-4,5,6-trimethoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6,6a,7,10,10a,11-hexahydro-2-tetracenecarbox ylate [ACD/IUPAC Name]
Methyl-(6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-{[(2S,3S,4R,5S,6S)-4,5,6-trimethoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6,6a,7,10,10a,11-hexahydro-2-tetracencarboxy lat [German] [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-(6aα,7α,10aα))-
97218-42-3 [RN]
Elloramycin
Elloramycin B
Elloramycin C
Elloramycin D
Elloramycin E
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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: 6.18
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 81.35
ACD/KOC (pH 5.5): 573.69
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 11.26
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

Click to predict properties on the Chemicalize site


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