ChemSpider 2D Image | 4-Formylphenyl 2,3,4,6-tetra-O-acetyl-beta-D-allopyranoside | C21H24O11

4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-allopyranoside

  • Molecular FormulaC21H24O11
  • Average mass452.409 Da
  • Monoisotopic mass452.131866 Da
  • ChemSpider ID23340489

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-β-D-allopyranoside de 4-formylphényle [French] [ACD/IUPAC Name]
4-Formylphenyl 2,3,4,6-tetra-O-acetyl-β-D-allopyranoside [ACD/IUPAC Name]
4-Formylphenyl-2,3,4,6-tetra-O-acetyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
Benzaldehyde, 4-[(2,3,4,6-tetra-O-acetyl-β-D-allopyranosyl)oxy]- [ACD/Index Name]
[(2R,3R,4R,5R,6S)-3,4,5-tris(acetyloxy)-6-(4-formylphenoxy)oxan-2-yl]methyl acetate
4-formylphenyl (2,3,4,6-tetra-O-acetyl)-β-D-allopyranoside
936574-32-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517038/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 235.7±30.2 °C
Index of Refraction: 1.531
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.13
ACD/KOC (pH 5.5): 254.65
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.13
ACD/KOC (pH 7.4): 254.65
Polar Surface Area: 141 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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