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Search term: SJJRKHVKAXVFJQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Hydroxy-2-(alpha-D-mannopyranosyloxy)benzyl 2,6-dimethoxybenzoate | C22H26O11

5-Hydroxy-2-(α-D-mannopyranosyloxy)benzyl 2,6-dimethoxybenzoate

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID113610973

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,6-Diméthoxybenzoate de 5-hydroxy-2-(α-D-mannopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
5-Hydroxy-2-(α-D-mannopyranosyloxy)benzyl 2,6-dimethoxybenzoate [ACD/IUPAC Name]
5-Hydroxy-2-(α-D-mannopyranosyloxy)benzyl-2,6-dimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,6-dimethoxy-, [5-hydroxy-2-(α-D-mannopyranosyloxy)phenyl]methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 253.8±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.96
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.82
Polar Surface Area: 164 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


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