ChemSpider 2D Image | (6R)-2,6-Anhydro-3,4,5-trideoxy-4-{[(dichloromethyl)sulfonyl]amino}-5-(isobutyrylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C14H22Cl2N2O9S

(6R)-2,6-Anhydro-3,4,5-trideoxy-4-{[(dichloromethyl)sulfonyl]amino}-5-(isobutyrylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC14H22Cl2N2O9S
  • Average mass465.303 Da
  • Monoisotopic mass464.042297 Da
  • ChemSpider ID24695956

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-3,4,5-trideoxy-4-{[(dichloromethyl)sulfonyl]amino}-5-(isobutyrylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3,4,5-tridesoxy-4-{[(dichlormethyl)sulfonyl]amino}-5-(isobutyrylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-2,6-anhydro-3,4,5-tridésoxy-4-{[(dichlorométhyl)sulfonyl]amino}-5-(isobutyrylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 2,6-anhydro-3,4,5-trideoxy-4-[[(dichloromethyl)sulfonyl]amino]-5-[(2-methyl-1-oxopropyl)amino]- [ACD/Index Name]
BCX 2855
BCX-2855
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473893/

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

4 [DBID]

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: 1.605
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 285.3±5.0 cm3

Click to predict properties on the Chemicalize site


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