ChemSpider 2D Image | alpha-L-erythro-Hexopyranosyl-(1->2)-[beta-D-threo-hexopyranosyl-(1->4)]-6-deoxy-alpha-L-erythro-hexopyranosyl-(1->6)-(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-thr eo-hexitol | C39H50O24

α-L-erythro-Hexopyranosyl-(1->2)-[β-D-threo-hexopyranosyl-(1->4)]-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-thr eo-hexitol

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID24843319

  • defined stereocentres - 12 of 20 defined stereocentres

More details:

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

D-threo-Hexitol, O-α-L-erythro-hexopyranosyl-(1->2)-O-[β-D-threo-hexopyranosyl-(1->4)]-O-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H -1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
α-L-erythro-Hexopyranosyl-(1->2)-[β-D-threo-hexopyranosyl-(1->4)]-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-thr eo-hexitol [ACD/IUPAC Name]
α-L-erythro-Hexopyranosyl-(1->2)-[β-D-threo-hexopyranosyl-(1->4)]-6-desoxy-α-L-erythro-hexopyranosyl-(1->6)-(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-th reo-hexitol [German] [ACD/IUPAC Name]
α-L-érythro-Hexopyranosyl-(1->2)-[β-D-thréo-hexopyranosyl-(1->4)]-6-désoxy-α-L-érythro-hexopyranosyl-(1->6)-(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-D-th réo-hexitol [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1197.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.1±3.0 kJ/mol
Flash Point: 360.8±27.8 °C
Index of Refraction: 1.748
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.74
ACD/LogD (pH 5.5): -3.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 126.2±5.0 dyne/cm
Molar Volume: 498.1±5.0 cm3

Click to predict properties on the Chemicalize site


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