ChemSpider 2D Image | 4-Formylphenyl 6-O-trityl-beta-D-allopyranoside | C32H30O7

4-Formylphenyl 6-O-trityl-β-D-allopyranoside

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID23332004

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Formylphenyl 6-O-trityl-β-D-allopyranoside [ACD/IUPAC Name]
4-Formylphenyl-6-O-trityl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-Trityl-β-D-allopyranoside de 4-formylphényle [French] [ACD/IUPAC Name]
Benzaldehyde, 4-[[6-O-(triphenylmethyl)-β-D-allopyranosyl]oxy]- [ACD/Index Name]
4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(trityloxymethyl)-tetrahydro-2H-pyran-2-yloxy)benzaldehyde
CHEMBL455397
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455397/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.650
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8479.97
ACD/KOC (pH 5.5): 22570.19
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8479.88
ACD/KOC (pH 7.4): 22569.94
Polar Surface Area: 105 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 401.3±3.0 cm3

Click to predict properties on the Chemicalize site


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