ChemSpider 2D Image | (5xi,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1S,2S)-2,3-dihydroxy-1-methoxypropyl]-L-glycero-hex-2-enonic acid | C13H22N4O7

(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1S,2S)-2,3-dihydroxy-1-methoxypropyl]-L-glycero-hex-2-enonic acid

  • Molecular FormulaC13H22N4O7
  • Average mass346.336 Da
  • Monoisotopic mass346.148834 Da
  • ChemSpider ID71360835

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1S,2S)-2,3-dihydroxy-1-methoxypropyl]-L-glycero-hex-2-enonic acid [ACD/IUPAC Name]
(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(1S,2S)-2,3-dihydroxy-1-methoxypropyl]-L-glycero-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6S)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(1S,2S)-2,3-dihydroxy-1-méthoxypropyl]-L-glycéro-hex-2-énonique [French] [ACD/IUPAC Name]
L-gluco-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-, (5ξ)- [ACD/Index Name]
203120-17-6 [RN]
Laninamivir [INN] [USAN]

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: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.06
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 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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