ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-beta-D-erythro-hexopyranosyl-alpha-L-erythro-hexopyranoside | C32H38O15

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-β-D-erythro-hexopyranosyl-α-L-erythro-hexopyranoside

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID24844457

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-erythro-hexopyranosyl-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-β-D-erythro-hexopyranosyl-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-β-D-erythro-hexopyranosyl-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-β-D-érythro-hexopyranosyl-α-L-érythro-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 955.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 305.6±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 62.82
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 245 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

Click to predict properties on the Chemicalize site


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