ChemSpider 2D Image | 3-Hydroxy-4-(phenylacetyl)phenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C28H30O12

3-Hydroxy-4-(phenylacetyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID2010605

  • 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-glucopyranoside de 3-hydroxy-4-(2-phénylacétyl)phényle [French] [ACD/IUPAC Name]
3-Hydroxy-4-(phenylacetyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-(phenylacetyl)phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[2-hydroxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-2-phenyl- [ACD/Index Name]
[(2R,3R,4S,5R,6S)-3,5-DIACETYLOXY-2-(ACETYLOXYMETHYL)-6-[3-HYDROXY-4-(2-PHENYLACETYL)PHENOXY]OXAN-4-YL]ACETATE
3,5-di(acetyloxy)-2-[(acetyloxy)methyl]-6-[3-hydroxy-4-(2-phenylacetyl)phenoxy]tetrahydro-2H-pyran-4-yl acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 212.7±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 520.65
ACD/KOC (pH 5.5): 3052.68
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 273.91
ACD/KOC (pH 7.4): 1606.00
Polar Surface Area: 161 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

Click to predict properties on the Chemicalize site


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