ChemSpider 2D Image | 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside | C27H30O14

1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID30786449
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 4,7-dihydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
87686-88-2 [RN]
9,10-Anthracenedione, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl- [ACD/Index Name]
1,3,6-trihydroxy-2-methylanthraquinone 3-o-α-l-rhamnosyl-(1???2)-β-d-glucoside
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,6-dihydroxy-2-methylanthracene-9,10-dione
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<s tereo>D</stereo>-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of <ital>Rubia yunnanensis</ital>. ChEBI CHEBI:69537
      A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a alpha-L-rhamnopyranosyl-(1right2)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69537

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 911.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 303.8±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 53.61
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 233 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 108.0±5.0 dyne/cm
Molar Volume: 337.1±5.0 cm3

Click to predict properties on the Chemicalize site






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