ChemSpider 2D Image | (1R)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-4-oxo-4H-chromen-6-yl]-L-ribo-hex-3-ulose | C28H30O13

(1R)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-4-oxo-4H-chromen-6-yl]-L-ribo-hex-3-ulose

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID439853

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-4-oxo-4H-chromen-6-yl]-L-ribo-hex-3-ulose [ACD/IUPAC Name]
(1R)-1,5-Anhydro-6-desoxy-2-O-(6-desoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-4-oxo-4H-chromen-6-yl]-L-ribo-hex-3-ulose [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-6-désoxy-2-O-(6-désoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxy-3-méthylphényl)-4-oxo-4H-chromén-6-yl]-L-ribo-hex-3-ulose [French] [ACD/IUPAC Name]
L-ribo-3-Hexulose, 1,5-anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1R)- [ACD/Index Name]
5,7-Dihydroxy-6-[(2R,3R,5S,6S)-5-hydroxy-6-methyl-4-oxo-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-2-(4-hydroxy-3-methyl-phenyl)-chromen-4-one
Cassiaoccidentalin C

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

AIDS166096 [DBID]
AIDS-166096 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 886.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.0±3.0 kJ/mol
Flash Point: 294.5±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 95.14
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 213 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 97.7±5.0 dyne/cm
Molar Volume: 348.5±5.0 cm3

Click to predict properties on the Chemicalize site


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