ChemSpider 2D Image | Methyl (1S)-1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-6-carboxylate | C24H24O11

Methyl (1S)-1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-6-carboxylate

  • Molecular FormulaC24H24O11
  • Average mass488.441 Da
  • Monoisotopic mass488.131866 Da
  • ChemSpider ID40256562

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-[(1S,2S,6R)-1,2-Dihydroxy-3,6-diméthoxy-5-oxo-3-cyclohexén-1-yl]-4-hydroxy-7-méthoxy-5-méthyl-3-oxo-1,3-dihydronaphto[2,3-c]furane-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1S)-1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-6-carboxylate [ACD/IUPAC Name]
Methyl-(1S)-1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-6-carboxylat [German] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-6-carboxylic acid, 1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxo-3-cyclohexen-1-yl]-1,3-dihydro-4-hydroxy-7-methoxy-5-methyl-3-oxo-, methyl ester, (1S)- [ACD/Index Name]
Saccharothrixone B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 251.3±26.4 °C
Index of Refraction: 1.660
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.31
ACD/KOC (pH 5.5): 630.09
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 12.13
ACD/KOC (pH 7.4): 131.09
Polar Surface Area: 158 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 320.6±5.0 cm3

Click to predict properties on the Chemicalize site


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