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

2,6-Anhydro-1-deoxy-5-O-(6-deoxyhexopyranosyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hex-3-ulose

  • Molecular FormulaC27H28O13
  • Average mass560.503 Da
  • Monoisotopic mass560.153015 Da
  • ChemSpider ID168819

More details:

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

2,6-Anhydro-1-deoxy-5-O-(6-deoxyhexopyranosyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hex-3-ulose [ACD/IUPAC Name]
2,6-Anhydro-1-desoxy-5-O-(6-desoxyhexopyranosyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hex-3-ulose [German] [ACD/IUPAC Name]
2,6-Anhydro-1-désoxy-5-O-(6-désoxyhexopyranosyl)-6-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]hex-3-ulose [French] [ACD/IUPAC Name]
3-Hexulose, 2,6-anhydro-1-deoxy-5-O-(6-deoxyhexopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]- [ACD/Index Name]
74158-04-6 [RN]
Apimaysin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 897.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 300.8±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: 2.37
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 54.18
ACD/LogD (pH 7.4): -1.04
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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