Found 26 results

Search term: MF = 'C_{27}H_{26}O_{11}'
ChemSpider 2D Image | 5-Hydroxy-2-{[3-O-(4-hydroxybenzoyl)-beta-D-allopyranosyl]oxy}benzyl benzoate | C27H26O11

5-Hydroxy-2-{[3-O-(4-hydroxybenzoyl)-β-D-allopyranosyl]oxy}benzyl benzoate

  • Molecular FormulaC27H26O11
  • Average mass526.489 Da
  • Monoisotopic mass526.147522 Da
  • ChemSpider ID76818989

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Hydroxy-2-{[3-O-(4-hydroxybenzoyl)-β-D-allopyranosyl]oxy}benzyl benzoate [ACD/IUPAC Name]
5-Hydroxy-2-{[3-O-(4-hydroxybenzoyl)-β-D-allopyranosyl]oxy}benzyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 5-hydroxy-2-{[3-O-(4-hydroxybenzoyl)-β-D-allopyranosyl]oxy}benzyle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, 2-[(benzoyloxy)methyl]-4-hydroxyphenyl, 3-(4-hydroxybenzoate) [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: 805.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 271.0±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.54
ACD/KOC (pH 5.5): 909.31
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 79.11
ACD/KOC (pH 7.4): 752.89
Polar Surface Area: 172 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 343.2±5.0 cm3

Click to predict properties on the Chemicalize site


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