ChemSpider 2D Image | 2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 3-O-(6-O-acetyl-alpha-D-galactopyranosyl)-6-deoxy-L-mannopyranoside | C29H32O17

2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 3-O-(6-O-acetyl-α-D-galactopyranosyl)-6-deoxy-L-mannopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID8592275

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 3-O-(6-O-acetyl-α-D-galactopyranosyl)-6-deoxy-L-mannopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-3-O-(6-O-acetyl-α-D-galactopyranosyl)-6-desoxy-L-mannopyranosid [German] [ACD/IUPAC Name]
3-O-(6-O-Acétyl-α-D-galactopyranosyl)-6-désoxy-L-mannopyranoside de 2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[[3-O-(6-O-acetyl-α-D-galactopyranosyl)-6-deoxy-L-mannopyranosyl]oxy]-4-hydroxyphenyl]-3,5,7-trihydroxy- [ACD/Index 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: 955.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 310.9±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: 1.41
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.95
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
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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