ChemSpider 2D Image | Ambocin | C26H28O14

Ambocin

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID4590684

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Ambocin
(-)-Ambocin
108044-05-9 [RN]
4H-1-Benzopyran-4-one, 7-((6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy)-5-hydroxy-3-(4-hydroxyphenyl)-
4H-1-BENZOPYRAN-4-ONE,7-[(6-O-D-APIO-B-D-FURANOSYL-B-D-GLUCOPYRANOSYL)OXY]-5-HYDROXY-3-(4-HYDROXYPHENYL)-(9CI)
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 938.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.0±3.0 kJ/mol
Flash Point: 315.3±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.20
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 225 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 322.9±5.0 cm3

Click to predict properties on the Chemicalize site


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