ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-beta-D-gulopyranosyl)-6-deoxy-alpha-L-mannopyranoside | C29H32O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-β-D-gulopyranosyl)-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID23170952

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-β-D-gulopyranosyl)-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-4-O-(6-O-acetyl-β-D-gulopyranosyl)-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-gulopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
4-O-(6-O-Acétyl-β-D-gulopyranosyl)-6-désoxy-α-L-mannopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Acetic acid (2R,3R,4R,5R,6S)-6-{(1R,2S,3S)-6-[2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-4-(S)-hydroxy-5-(R)-hydroxy-2-methyl-tetrahydro-pyran-3-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester

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

Density: 1.8±0.1 g/cm3
Boiling Point: 969.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 315.6±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 40.79
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 272 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


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