ChemSpider 2D Image | 8094402 | C22H28O13

8094402

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID9845284
  • defined stereocentres - 10 of 10 defined stereocentres


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

2H-1-Benzopyran-2-one, 7-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-4-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-Methylumbelliferyl b-D-lactoside
4-Methylumbelliferyl β-D-lactoside
4-O-β-D-Galactopyranosyl-β-D-glucopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
8094402
84325-23-5 [RN]
MFCD00083406
[84325-23-5]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M2405_SIGMA [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 830.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 286.0±27.8 °C
Index of Refraction: 1.677
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 205 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

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