Found 5 results

Search term: MFIXKYXSBNIMPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-threo-hexopyranosyl-(1->3)-6-deoxy-alpha-L-erythro-hexopyranosyl-(1->6)-beta-D-glycero-hexopyranoside | C33H40O20

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-threo-hexopyranosyl-(1->3)-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-β-D-glycero-hexopyranoside

  • Molecular FormulaC33H40O20
  • Average mass756.659 Da
  • Monoisotopic mass756.211304 Da
  • ChemSpider ID24844490

  • defined stereocentres - 8 of 15 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[O-β-D-threo-hexopyranosyl-(1->3)-O-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-β-D-glycero-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-threo-hexopyranosyl-(1->3)-6-deoxy-α-L-erythro-hexopyranosyl-(1->6)-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-β-D-threo-hexopyranosyl-(1->3)-6-desoxy-α-L-erythro-hexopyranosyl-(1->6)-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranosyl-(1->3)-6-désoxy-α-L-érythro-hexopyranosyl-(1->6)-β-D-glycéro-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-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: 1111.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.3±3.0 kJ/mol
Flash Point: 349.7±27.8 °C
Index of Refraction: 1.743
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): -3.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 120.5±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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