ChemSpider 2D Image | (2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(2R)-3-hydroxy-2-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | C13H22N4O6

(2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(2R)-3-hydroxy-2-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

  • Molecular FormulaC13H22N4O6
  • Average mass330.337 Da
  • Monoisotopic mass330.153931 Da
  • ChemSpider ID88297911

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(2R)-3-hydroxy-2-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
(4S,5R,6R)-4-carbamimidamido-5-acetamido-6-[(2R)-3-hydroxy-2-methoxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(2R)-3-hydroxy-2-methoxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(2R)-3-hydroxy-2-methoxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
203120-17-6 [RN]
Acide (6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(2R)-3-hydroxy-2-méthoxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
L-ido-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5,7-tetradeoxy-8-O-methyl- [ACD/Index Name]
Laninamivir [INN] [USAN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 75.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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