ChemSpider 2D Image | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-xylo-non-2-enonic acid | C12H20N4O7

5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-xylo-non-2-enonic acid

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID23258436
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(5ξ,6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R)-1,2,3-trihydroxypropyl]-D-glycero-hex-2-enonic acid [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(1R)-1,2,3-trihydroxypropyl]-D-glycero-hex-2-enonsäure [German] [ACD/IUPAC Name]
5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-xylo-non-2-enonic acid
Acide (5ξ,6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(1R)-1,2,3-trihydroxypropyl]-D-glycéro-hex-2-énonique [French] [ACD/IUPAC Name]
D-xylo-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy- [ACD/Index Name]
(2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 71.6±0.5 cm3
#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: 198 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

Click to predict properties on the Chemicalize site


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