ChemSpider 2D Image | Anthocyanone A | C14H16O10

Anthocyanone A

  • Molecular FormulaC14H16O10
  • Average mass344.271 Da
  • Monoisotopic mass344.074341 Da
  • ChemSpider ID29784776

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-[(2E)-2-(2,4-Dihydroxy-6-oxo-2,4-cyclohexadien-1-yliden)acetyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E)-2-(2,4-Dihydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)acetyl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2E)-2-(2,4-Dihydroxy-6-oxo-2,4-cyclohexadién-1-ylidène)acétyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
8-β-d-glucopyranosyl-2,4-dihydroxy-6-oxo-cyclohexa-2,4-dienyl acetic acid
Anthocyanone A [Wiki]
β-D-Glucopyranose, 1-O-[(2E)-2-(2,4-dihydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-1-oxoethyl]- [ACD/Index 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: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 272.8±26.4 °C
Index of Refraction: 1.689
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 105.3±5.0 dyne/cm
Molar Volume: 195.5±5.0 cm3

Click to predict properties on the Chemicalize site


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