ChemSpider 2D Image | 7-[(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranoside | C34H40O19

7-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranoside

  • Molecular FormulaC34H40O19
  • Average mass752.670 Da
  • Monoisotopic mass752.216370 Da
  • ChemSpider ID8828007

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-3-[(6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranoside de 7-[(4-O-acétyl-6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
7-[(4-O-Acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4''''-Acetylsagittatin A
Kaempferol 3-xylosyl(1->2)rhamnoside-7-(4''-acetylrhamnoside)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1015.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 318.4±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.62
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

Click to predict properties on the Chemicalize site


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