ChemSpider 2D Image | 2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside | C27H32O15

2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 6-deoxy-3-O-β-D-glucopyranosyl-α-L-mannopyranoside

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID10167541
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 6-deoxy-3-O-β-D-glucopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl-6-desoxy-3-O-β-D-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-[(6-deoxy-3-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5-hydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- [ACD/Index Name]
6-Désoxy-3-O-β-D-glucopyranosyl-α-L-mannopyranoside de 2-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-4-hydroxyphényle [French] [ACD/IUPAC Name]
(S)-2-(2-((2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 969.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.9±3.0 kJ/mol
Flash Point: 321.1±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.51
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 245 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 111.1±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

Click to predict properties on the Chemicalize site






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