ChemSpider 2D Image | 4-METHYLUMBELLIFERYL CHITOBIOSE | C26H34N2O13

4-METHYLUMBELLIFERYL CHITOBIOSE

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID26329813

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acétamido-4-O-(2-acétamido-2-désoxy-α-L-glucopyranosyl)-2-désoxy-α-L-idopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-α-L-glucopyranosyl]-2-deoxy-α-L-idopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-α-L-glucopyranosyl)-2-deoxy-α-L-idopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-4-O-(2-acetamido-2-desoxy-α-L-glucopyranosyl)-2-desoxy-α-L-idopyranosid [German] [ACD/IUPAC Name]
4-METHYLUMBELLIFERYL CHITOBIOSE
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxochromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1000.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.9±3.0 kJ/mol
Flash Point: 559.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.14
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.14
Polar Surface Area: 223 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 380.1±5.0 cm3

Click to predict properties on the Chemicalize site


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