ChemSpider 2D Image | (6R)-5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(1S,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-L-threo-hex-2-enonate | C21H36N4O8

(6R)-5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(1S,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-L-threo-hex-2-enonate

  • Molecular FormulaC21H36N4O8
  • Average mass472.533 Da
  • Monoisotopic mass472.253326 Da
  • ChemSpider ID31046694

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-6-[(1S,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-L-threo-hex-2-enonate [ACD/IUPAC Name]
(6R)-5-Acetamido-4-{[ammonio(imino)methyl]amino}-2,6-anhydro-3,4,5-tridesoxy-6-[(1S,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-L-threo-hex-2-enonat [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-4-{[ammonio(imino)méthyl]amino}-2,6-anhydro-3,4,5-tridésoxy-6-[(1S,2R)-2-hydroxy-1-méthoxy-3-(octanoyloxy)propyl]-L-thréo-hex-2-énonate [French] [ACD/IUPAC Name]
D-glycero-L-altro-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-9-O-(1-oxooctyl)- [ACD/Index Name]
203120-46-1 [RN]
Laninamivir [INN] [USAN]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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