Found 9 results

Search term: C31H34O19 (Found by molecular formula)
ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[7-{[6-O-(3-carboxy-3-hydroxypropanoyl)-beta-D-threo-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol | C31H34O19

(1S)-1,5-Anhydro-1-[7-{[6-O-(3-carboxy-3-hydroxypropanoyl)-β-D-threo-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol

  • Molecular FormulaC31H34O19
  • Average mass710.590 Da
  • Monoisotopic mass710.169434 Da
  • ChemSpider ID24843370

  • defined stereocentres - 6 of 11 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[7-{[6-O-(3-carboxy-3-hydroxypropanoyl)-β-D-threo-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-{[6-O-(3-carboxy-3-hydroxypropanoyl)-β-D-threo-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-{[6-O-(3-carboxy-3-hydroxypropanoyl)-β-D-thréo-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,5-anhydro-1-C-[7-[[6-O-(3-carboxy-3-hydroxy-1-oxopropyl)-β-D-threo-hexopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1061.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.9±3.0 kJ/mol
Flash Point: 339.2±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 103.8±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

Click to predict properties on the Chemicalize site


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