ChemSpider 2D Image | Benzyl 2,3-di-O-acetyl-4-O-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-beta-D-xylopyranoside | C27H34O14

Benzyl 2,3-di-O-acetyl-4-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC27H34O14
  • Average mass582.550 Da
  • Monoisotopic mass582.194885 Da
  • ChemSpider ID110416183

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2,3-Di-O-acétyl-4-O-(2,3,4-tri-O-acétyl-β-D-xylopyranosyl)-β-D-xylopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl 2,3-di-O-acetyl-4-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
Benzyl-2,3-di-O-acetyl-4-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside, phenylmethyl 4-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-, diacetate [ACD/Index Name]
72661-85-9 [RN]
Benzyl ß-D-xylobioside pentaacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 258.6±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.66
ACD/KOC (pH 5.5): 718.32
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.66
ACD/KOC (pH 7.4): 718.32
Polar Surface Area: 168 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

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