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Search term: 24845104 (Found by CSID)
ChemSpider 2D Image | 5-[3-(alpha-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenyl alpha-L-erythro-hexopyranoside | C27H30O18

5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenyl α-L-erythro-hexopyranoside

  • Molecular FormulaC27H30O18
  • Average mass642.516 Da
  • Monoisotopic mass642.143188 Da
  • ChemSpider ID24845104

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(α-L-glycero-hexopyranosyloxy)-2-[3-(α-L-erythro-hexopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenyl α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenyl-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
α-L-érythro-Hexopyranoside de 5-[3-(α-L-glycéro-hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]-2,3-dihydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1079.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.8±3.0 kJ/mol
Flash Point: 354.2±27.8 °C
Index of Refraction: 1.808
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 151.0±5.0 dyne/cm
Molar Volume: 328.1±5.0 cm3

Click to predict properties on the Chemicalize site


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