ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-glucopyranosyl)-beta-D-mannopyranoside | C29H34O17

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-glucopyranosyl)-β-D-mannopyranoside

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID127384638

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-glucopyranosyl)-β-D-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-glucopyranosyl)-β-D-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-glucopyranosyl)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-glucopyranosyl)-β-D-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-8-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
79384-27-3 [RN]
Limocitrin-3-O-rutinoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 967.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 314.2±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.19
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 264 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 105.8±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

Click to predict properties on the Chemicalize site


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