ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(E)-{1-[(methylsulfonyl)amino]-2-phenylethylidene}amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C20H27N3O9S

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(E)-{1-[(methylsulfonyl)amino]-2-phenylethylidene}amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC20H27N3O9S
  • Average mass485.508 Da
  • Monoisotopic mass485.146790 Da
  • ChemSpider ID26347016

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(E)-{1-[(methylsulfonyl)amino]-2-phenylethylidene}amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,4,5-tridesoxy-4-[(E)-{1-[(methylsulfonyl)amino]-2-phenylethyliden}amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-3,4,5-tridésoxy-4-[(E)-{1-[(méthylsulfonyl)amino]-2-phényléthylidène}amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[[(1Z)-1-[(methylsulfonyl)imino]-2-phenylethyl]amino]- [ACD/Index Name]

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: 1.635
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 320.1±7.0 cm3

Click to predict properties on the Chemicalize site


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