ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-4-O-(2-acetamido-2-deoxyhexopyranosyl)-2-deoxyhexopyranoside | C26H34N2O13

4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-4-O-(2-acetamido-2-deoxyhexopyranosyl)-2-deoxyhexopyranoside

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID3396629

More details:

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

2-Acétamido-4-O-(2-acétamido-2-désoxyhexopyranosyl)-2-désoxyhexopyranoside 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-deoxyhexopyranosyl]-2-deoxyhexopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-4-O-(2-acetamido-2-deoxyhexopyranosyl)-2-deoxyhexopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-4-O-(2-acetamido-2-desoxyhexopyranosyl)-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
4-Methylumbelliferyl N,N-diacetyl-b-D-chitobioside
4-Methylumbelliferyl β-D-N,N'-diacetylchitobioside
53643-12-2 [RN]
N,N'-Diacetyl-4-methylumbelliferyl-b-D-chitobioside
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

M9763_SIGMA [DBID]

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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