ChemSpider 2D Image | [5-Hydroxy-7-(4-hydroxyphenyl)-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methyl 6-O-(6-deoxy-alpha-L-talopyranosyl)-beta-D-galactopyranoside | C32H36O15

[5-Hydroxy-7-(4-hydroxyphenyl)-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methyl 6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID127383824

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

[5-Hydroxy-7-(4-hydroxyphenyl)-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methyl 6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
[5-Hydroxy-7-(4-hydroxyphenyl)-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methyl-6-O-(6-desoxy-α-L-talopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 2-[[[6-O-(6-deoxy-α-L-talopyranosyl)-β-D-galactopyranosyl]oxy]methyl]-5-hydroxy-7-(4-hydroxyphenyl)-2-methyl- [ACD/Index Name]
6-O-(6-Désoxy-α-L-talopyranosyl)-β-D-galactopyranoside de [5-hydroxy-7-(4-hydroxyphényl)-2-méthyl-6-oxo-2H,6H-pyrano[3,2-g]chromén-2-yl]méthyle [French] [ACD/IUPAC Name]
5-hydroxy-7-(4-hydroxyphenyl)-2-methyl-2-[[(2R,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]oxymethyl]-4a,5,5a,9a,10,10a-hexahydropyrano[3,2-g]chromen-6-one
Compound NP-012910

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

Density: 1.6±0.1 g/cm3
Boiling Point: 930.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 299.1±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.40
ACD/KOC (pH 5.5): 200.73
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.75
Polar Surface Area: 234 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 98.4±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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