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Search term: AXFVQMHNMAOMEL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl 2-O-acetyl-5-O-benzoyl-3-deoxy-4-O-(methoxymethyl)-2-C-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylonate | C23H33NO10

Methyl 2-O-acetyl-5-O-benzoyl-3-deoxy-4-O-(methoxymethyl)-2-C-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylonate

  • Molecular FormulaC23H33NO10
  • Average mass483.509 Da
  • Monoisotopic mass483.210449 Da
  • ChemSpider ID30900612
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-O-Acétyl-5-O-benzoyl-3-désoxy-4-O-(méthoxyméthyl)-2-C-méthyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-D-xylonate de méthyle [French] [ACD/IUPAC Name]
D-Xylonic acid, 3-deoxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-O-(methoxymethyl)-2-C-methyl-, methyl ester, 2-acetate 5-benzoate [ACD/Index Name]
Methyl 2-O-acetyl-5-O-benzoyl-3-deoxy-4-O-(methoxymethyl)-2-C-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylonate [ACD/IUPAC Name]
Methyl-2-O-acetyl-5-O-benzoyl-3-desoxy-4-O-(methoxymethyl)-2-C-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylonat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.499
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1957.52
ACD/KOC (pH 5.5): 7903.12
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1956.68
ACD/KOC (pH 7.4): 7899.73
Polar Surface Area: 136 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 407.8±3.0 cm3

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