ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-{(1R,2R)-3-[(2-ethylhexanoyl)oxy]-2-hydroxy-1-methoxypropyl}-L-threo-hex-2-enonic acid | C21H36N4O8

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-{(1R,2R)-3-[(2-ethylhexanoyl)oxy]-2-hydroxy-1-methoxypropyl}-L-threo-hex-2-enonic acid

  • Molecular FormulaC21H36N4O8
  • Average mass472.533 Da
  • Monoisotopic mass472.253326 Da
  • ChemSpider ID24693359

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-{(1R,2R)-3-[(2-ethylhexanoyl)oxy]-2-hydroxy-1-methoxypropyl}-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-{(1R,2R)-3-[(2-ethylhexanoyl)oxy]-2-hydroxy-1-methoxypropyl}-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-{(1R,2R)-3-[(2-éthylhexanoyl)oxy]-2-hydroxy-1-méthoxypropyl}-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-9-O-(2-ethyl-1-oxohexyl)-7-O-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466247/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


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