ChemSpider 2D Image | (1S)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glycero-hex-3-ulose | C27H28O13

(1S)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glycero-hex-3-ulose

  • Molecular FormulaC27H28O13
  • Average mass560.503 Da
  • Monoisotopic mass560.153015 Da
  • ChemSpider ID24843322

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glycero-hex-3-ulose [ACD/IUPAC Name]
(1S)-1,5-Anhydro-6-desoxy-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glycero-hex-3-ulose [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-6-désoxy-2-O-(6-désoxy-α-L-érythro-hexopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-D-glycéro-hex-3-ulose [French] [ACD/IUPAC Name]
D-glycero-3-Hexulose, 1,5-anhydro-6-deoxy-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-1-C-[5,7-dihydroxy-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: 891.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 298.8±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 63.05
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

Click to predict properties on the Chemicalize site


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