ChemSpider 2D Image | 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 4-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C30H34O17

7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC30H34O17
  • Average mass666.581 Da
  • Monoisotopic mass666.179626 Da
  • ChemSpider ID8502545

  • 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-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy- [ACD/Index Name]
4-O-Acétyl-6-désoxy-α-L-mannopyranoside de 7-[(6-désoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-6-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl-4-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444657/
patuletin-3-O-(4''-O-acetyl-α-L-rhamnopyranosyl)-7-O-rhamnopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 940.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 303.3±27.8 °C
Index of Refraction: 1.697
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.86
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 396.0±5.0 cm3

Click to predict properties on the Chemicalize site


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