ChemSpider 2D Image | [(2S,3R,4R,5S,6S)-2-[3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl] 2-methoxybenzoate | C47H56O25

[(2S,3R,4R,5S,6S)-2-[3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl] 2-methoxybenzoate

  • Molecular FormulaC47H56O25
  • Average mass1020.932 Da
  • Monoisotopic mass1020.311096 Da
  • ChemSpider ID8947692

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->6)]-β-D-galactopyranoside de 7-{[6-désoxy-3-O-(2-méthoxybenzoyl)-α-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl )-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-{[6-Desoxy-3-O-(2-methoxybenzoyl)-α-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->6)]-β -D-galactopyranosid [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: 1234.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 192.5±3.0 kJ/mol
Flash Point: 358.7±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 237.0±0.4 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 70.81
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 378 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 101.1±5.0 dyne/cm
Molar Volume: 610.1±5.0 cm3

Click to predict properties on the Chemicalize site


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