Found 26 results

Search term: MF = 'C_{27}H_{26}O_{11}'
ChemSpider 2D Image | 2-[(4-O-Benzoyl-beta-D-glucopyranosyl)oxy]-5-hydroxybenzyl salicylate | C27H26O11

2-[(4-O-Benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyl salicylate

  • Molecular FormulaC27H26O11
  • Average mass526.489 Da
  • Monoisotopic mass526.147522 Da
  • ChemSpider ID24714551

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(4-O-Benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyl salicylate [ACD/IUPAC Name]
2-[(4-O-Benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, [2-[(4-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxyphenyl]methyl ester [ACD/Index Name]
Salicylate de 2-[(4-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512112/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 255.8±26.4 °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: 4.25
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.75
ACD/KOC (pH 5.5): 1169.09
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 109.83
ACD/KOC (pH 7.4): 945.86
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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