ChemSpider 2D Image | 5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylene)amino]-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid | C13H22N4O7

5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylene)amino]-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC13H22N4O7
  • Average mass346.336 Da
  • Monoisotopic mass346.148834 Da
  • ChemSpider ID110806272

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylene)amino]-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
5-Acetamido-2,6-anhydro-3,4,5-tridesoxy-4-[(diaminomethylen)amino]-6-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide 5-acétamido-2,6-anhydro-3,4,5-tridésoxy-4-[(diaminométhylène)amino]-6-[(1R,2R)-2,3-dihydroxy-1-méthoxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-gluco-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylene)amino]-7-O-methyl-, (6ξ)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 76.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 214.0±7.0 cm3

Click to predict properties on the Chemicalize site


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