ChemSpider 2D Image | Methyl (1S)-4-hydroxy-7-methoxy-5-methyl-3-oxo-1-[(1R,2S,6R)-1,2,6-trihydroxy-3-methoxy-5-oxo-3-cyclohexen-1-yl]-1,3-dihydronaphtho[2,3-c]furan-6-carboxylate | C23H22O11

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

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID40256561

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 257.9±26.4 °C
Index of Refraction: 1.693
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.66
ACD/KOC (pH 5.5): 349.85
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 70.35
Polar Surface Area: 169 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 295.7±5.0 cm3

Click to predict properties on the Chemicalize site


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