ChemSpider 2D Image | 1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-beta-D-threo-hexopyranose | C23H30O11

1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-β-D-threo-hexopyranose

  • Molecular FormulaC23H30O11
  • Average mass482.478 Da
  • Monoisotopic mass482.178802 Da
  • ChemSpider ID23976836

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-β-D-threo-hexopyranose [ACD/IUPAC Name]
1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-β-D-threo-hexopyranose [German] [ACD/IUPAC Name]
1-O-[(4E)-6-(4-Hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexenoyl]-β-D-thréo-hexopyranose [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranose, 1-O-[(4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexen-1-yl]- [ACD/Index Name]
344562-78-3 [RN]
Mycophenolic Acid Acyl-β-D-glucoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 260.1±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 115.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.94
ACD/KOC (pH 5.5): 252.54
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.89
ACD/KOC (pH 7.4): 251.68
Polar Surface Area: 172 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 328.7±5.0 cm3

Click to predict properties on the Chemicalize site


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