ChemSpider 2D Image | 2-{4-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C33H40O19

2-{4-[(6-Deoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID8254252

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-{4-[(6-Deoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-{4-[(6-Desoxy-α-L-mannopyranosyl)oxy]phenyl}-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-5,7-dihydroxy- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]phényl}-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
-glucopyranoside
kaempferol 4'-O-&#x3B1
-rhamnopyranosyl-3-O-α

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1045.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.2±3.0 kJ/mol
Flash Point: 329.6±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.66
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 111.7±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

Click to predict properties on the Chemicalize site


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