ChemSpider 2D Image | 4-Formylphenyl 2,3,4-tri-O-acetyl-beta-D-allopyranoside | C19H22O10

4-Formylphenyl 2,3,4-tri-O-acetyl-β-D-allopyranoside

  • Molecular FormulaC19H22O10
  • Average mass410.372 Da
  • Monoisotopic mass410.121307 Da
  • ChemSpider ID23332005

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4-Tri-O-acétyl-β-D-allopyranoside de 4-formylphényle [French] [ACD/IUPAC Name]
4-Formylphenyl 2,3,4-tri-O-acetyl-β-D-allopyranoside [ACD/IUPAC Name]
4-Formylphenyl-2,3,4-tri-O-acetyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
Benzaldehyde, 4-[(2,3,4-tri-O-acetyl-β-D-allopyranosyl)oxy]- [ACD/Index Name]
Acetic acid (2S,3R,4R,5R,6R)-4,5-diacetoxy-2-(4-formyl-phenoxy)-6-hydroxymethyl-tetrahydro-pyran-3-yl ester
CHEMBL509476
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509476/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 185.2±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.06
ACD/KOC (pH 5.5): 154.94
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 154.94
Polar Surface Area: 135 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

Click to predict properties on the Chemicalize site


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