ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-erythro-hexopyranosyl-(1->6)-[(3xi)-beta-D-erythro-pentopyranosyl-(1->2)]-beta-D-glycero-hexopyranoside | C32H38O20

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-[(3ξ)-β-D-erythro-pentopyranosyl-(1->2)]-β-D-glycero-hexopyranoside

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID24844837

  • defined stereocentres - 8 of 14 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-[(3ξ)-β-D-erythro-pentopyranosyl-(1->2)]-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-erythro-hexopyranosyl-(1->6)-[(3ξ)-β-D-erythro-pentopyranosyl-(1->2)]-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-O-[(3ξ)-β-D-erythro-pentopyranosyl-(1->;2)]-β-D-glycero-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
6-Désoxy-α-L-érythro-hexopyranosyl-(1->6)-[(3ξ)-β-D-érythro-pentopyranosyl-(1->2)]-β-D-glycéro-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-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: 1.8±0.1 g/cm3
Boiling Point: 1099.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.2±3.0 kJ/mol
Flash Point: 348.1±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.68
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 126.7±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

Click to predict properties on the Chemicalize site


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