ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C33H40O19

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

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID67868635

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-O-(6-Désoxy-β-D-glucopyranosyl)-α-L-mannopyranoside de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
156980-60-8 [RN]
7-(((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
GROSVENORIN
MFCD21333502

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1067.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.9±3.0 kJ/mol
Flash Point: 336.8±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.90
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 111.7±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

Click to predict properties on the Chemicalize site


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