ChemSpider 2D Image | 5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(2R)-1,2,3-trihydroxypropyl]hex-2-enonate | C12H20N4O7

5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(2R)-1,2,3-trihydroxypropyl]hex-2-enonate

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID23228329
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name)
5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(2R)-1,2,3-trihydroxypropyl]hex-2-enonate [ACD/IUPAC Name]
5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-tridesoxy-6-[(2R)-1,2,3-trihydroxypropyl]hex-2-enonat [German] [ACD/IUPAC Name]
5-Acétamido-4-{[ammonio(imino)méthyl]amino}-2,6-anhydro-3,4,5-tridésoxy-6-[(2R)-1,2,3-trihydroxypropyl]hex-2-énonate [French] [ACD/IUPAC Name]
D-glycero-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy- [ACD/Index Name]
3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.13
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

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