ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C27H32O16

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC27H32O16
  • Average mass612.533 Da
  • Monoisotopic mass612.169006 Da
  • ChemSpider ID8591762

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5-dihydroxy-, (2R,3R)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2R,3R)-2-(3,4-dihydroxyphényl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 999.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.7±3.0 kJ/mol
Flash Point: 329.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.98
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.11
Polar Surface Area: 266 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 120.2±5.0 dyne/cm
Molar Volume: 342.4±5.0 cm3

Click to predict properties on the Chemicalize site


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