ChemSpider 2D Image | 7-{[(5S)-5-Ethyl-beta-L-xylopyranosyl]oxy}-3-hydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl (5R)-3-O-(6-deoxy-alpha-L-mannopyranosyl)-5-ethyl-beta-D-xylopyranoside | C34H40O19

7-{[(5S)-5-Ethyl-β-L-xylopyranosyl]oxy}-3-hydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl (5R)-3-O-(6-deoxy-α-L-mannopyranosyl)-5-ethyl-β-D-xylopyranoside

  • Molecular FormulaC34H40O19
  • Average mass752.670 Da
  • Monoisotopic mass752.216370 Da
  • ChemSpider ID9724274

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(5R)-3-O-(6-Désoxy-α-L-mannopyranosyl)-5-éthyl-β-D-xylopyranoside de 7-{[(5S)-5-éthyl-β-L-xylopyranosyl]oxy}-3-hydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-2-yle [French] [ACD/IUPAC Name]
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-[[6,7-dideoxy-3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-gluco-heptopyranosyl]oxy]-7-[(6,7-dideoxy-β-L-gluco-heptopyranosyl)oxy]-3-hydroxy- [ACD/Index Name]
7-{[(5S)-5-Ethyl-β-L-xylopyranosyl]oxy}-3-hydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl (5R)-3-O-(6-deoxy-α-L-mannopyranosyl)-5-ethyl-β-D-xylopyranoside [ACD/IUPAC Name]
7-{[(5S)-5-Ethyl-β-L-xylopyranosyl]oxy}-3-hydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl-(5R)-3-O-(6-desoxy-α-L-mannopyranosyl)-5-ethyl-β-D-xylopyranosid [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: 1063.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.2±3.0 kJ/mol
Flash Point: 334.9±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.48
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 105.7±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site


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