ChemSpider 2D Image | Methyl 2,3,4-tri-O-benzoyl-alpha-D-glucopyranoside | C28H26O9

Methyl 2,3,4-tri-O-benzoyl-α-D-glucopyranoside

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID9093443

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl tribenzoate
2,3,4-Tri-O-benzoyl-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
34234-44-1 [RN]
Methyl 2,3,4-tri-O-benzoyl-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2,3,4-tri-O-benzoyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl, 2,3,4-tribenzoate [ACD/Index Name]
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl-tribenzoate
(2R,3R,4S,5R,6S)-4,5-bis(benzoyloxy)-2-(hydroxymethyl)-6-methoxyoxan-3-yl benzoate
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate
Methyl 2,3,6-tri-O-benzoyl-a-D-glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7336.53
ACD/KOC (pH 5.5): 20347.40
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7336.53
ACD/KOC (pH 7.4): 20347.40
Polar Surface Area: 118 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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