ChemSpider 2D Image | 5-Hydroxy-2-{3-hydroxy-4-[(~2~H_3_)methyloxy]phenyl}-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-beta-L-talopyranosyl)-beta-D-erythro-hexopyranoside | C28H29D3O15

5-Hydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]phenyl}-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-β-L-talopyranosyl)-β-D-erythro-hexopyranoside

  • Molecular FormulaC28H29D3O15
  • Average mass611.563 Da
  • Monoisotopic mass611.192932 Da
  • ChemSpider ID107442421

  • defined stereocentres - 8 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-O-(6-Désoxy-β-L-talopyranosyl)-β-D-érythro-hexopyranoside de 5-hydroxy-2-{3-hydroxy-4-[(2H3)méthyloxy]phényl}-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-β-L-talopyranosyl)-β-D-erythro-hexopyranosyl]oxy]-5-hydroxy-2-[3-hydroxy-4-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
5-Hydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]phenyl}-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-β-L-talopyranosyl)-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]phenyl}-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-β-L-talopyranosyl)-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.7±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: 306.4±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.39
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 234 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

Click to predict properties on the Chemicalize site


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