ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-threo-hex-2-enonic acid | C17H28N2O9

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-threo-hex-2-enonic acid

  • Molecular FormulaC17H28N2O9
  • Average mass404.412 Da
  • Monoisotopic mass404.179474 Da
  • ChemSpider ID58779768

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,4,5-tridesoxy-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-3,4,5-tridésoxy-6-[(1R,2R)-2,3-dihydroxy-1-méthoxypropyl]-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[[(1,1-dimethylethoxy)carbonyl]amino]-7-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 302.9±5.0 cm3

Click to predict properties on the Chemicalize site


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