ChemSpider 2D Image | 5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-alpha-L-erythro-hexopyranoside | C33H42O15

5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopyranoside

  • Molecular FormulaC33H42O15
  • Average mass678.678 Da
  • Monoisotopic mass678.252380 Da
  • ChemSpider ID24844757

  • 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-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopyranosyl]oxy]-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-(6-désoxy-α-L-érythro-hexopyranosyl)-α-L-érythro-hexopyranoside de 5,7-dihydroxy-8-(3-hydroxy-3-méthylbutyl)-2-(4-méthoxyphényl)-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: 1.5±0.1 g/cm3
Boiling Point: 925.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 292.5±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.22
ACD/KOC (pH 5.5): 244.32
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.71
Polar Surface Area: 234 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 442.3±5.0 cm3

Click to predict properties on the Chemicalize site


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