ChemSpider 2D Image | 4-Hydroxy-3-methoxyphenyl (5xi)-4-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-L-threo-hexopyranosyl]-beta-D-xylo-hexopyranoside | C27H34O16

4-Hydroxy-3-methoxyphenyl (5ξ)-4-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-L-threo-hexopyranosyl]-β-D-xylo-hexopyranoside

  • Molecular FormulaC27H34O16
  • Average mass614.549 Da
  • Monoisotopic mass614.184692 Da
  • ChemSpider ID28287408

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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(5ξ)-4-O-[6-O-(4-Hydroxy-3-méthoxybenzoyl)-L-thréo-hexopyranosyl]-β-D-xylo-hexopyranoside de 4-hydroxy-3-méthoxyphényle [French] [ACD/IUPAC Name]
4-Hydroxy-3-methoxyphenyl (5ξ)-4-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-L-threo-hexopyranosyl]-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
4-Hydroxy-3-methoxyphenyl-(5ξ)-4-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-L-threo-hexopyranosyl]-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, 4-hydroxy-3-methoxyphenyl 4-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-L-threo-hexopyranosyl]-, (5ξ)- [ACD/Index Name]
4'-O-(6-O-vanilloyl)-b-D-glucopyranosyl tachioside D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 894.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 292.9±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.83
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.48
Polar Surface Area: 244 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 93.7±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

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