ChemSpider 2D Image | 3-{[6-O-(alpha-L-erythro-Hexopyranosyl)-beta-D-glycero-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-alpha-L-erythro-hexopy ranoside | C39H50O24

3-{[6-O-(α-L-erythro-Hexopyranosyl)-β-D-glycero-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopy ranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID24844524

  • defined stereocentres - 11 of 20 defined stereocentres

More details:

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

3-{[6-O-(α-L-erythro-Hexopyranosyl)-β-D-glycero-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopy ranoside [ACD/IUPAC Name]
3-{[6-O-(α-L-erythro-Hexopyranosyl)-β-D-glycero-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-3-O-(6-desoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexo pyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-deoxy-3-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-hexopyranosyl]oxy]-3-[(6-O-α-L-erythro-hexopyranosyl-β-D-glycero-hexopyranosyl)oxy]-5-hydroxy-2-(4 -hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-3-O-(6-désoxy-α-L-érythro-hexopyranosyl)-α-L-érythro-hexopyranoside de 3-{[6-O-(α-L-érythro-hexopyranosyl)-β-D-glycéro-hexopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H -chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1219.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.8±3.0 kJ/mol
Flash Point: 367.2±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 507.1±5.0 cm3

Click to predict properties on the Chemicalize site


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