ChemSpider 2D Image | Methyl (6R)-5-acetamido-6-[(1R,2R)-3-{[amino(oxo)acetyl]amino}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid | C14H23N3O10

Methyl (6R)-5-acetamido-6-[(1R,2R)-3-{[amino(oxo)acetyl]amino}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid

  • Molecular FormulaC14H23N3O10
  • Average mass393.346 Da
  • Monoisotopic mass393.138336 Da
  • ChemSpider ID78317963

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

Acide (6R)-5-acétamido-6-{(1R,2R)-3-[(2-amino-2-oxoacétyl)amino]-1,2-dihydroxypropyl}-3,5-didésoxy-L-thréo-hex-2-ulopyranosidonique de méthyle [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-9-[(2-amino-1,2-dioxoethyl)amino]-3,5,9-trideoxy- [ACD/Index Name]
Methyl (6R)-5-acetamido-6-[(1R,2R)-3-{[amino(oxo)acetyl]amino}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
Methyl-(6R)-5-acetamido-6-[(1R,2R)-3-{[amino(oxo)acetyl]amino}-1,2-dihydroxypropyl]-3,5-didesoxy-L-threo-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4116236/

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: 1.593
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.86
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 252.9±5.0 cm3

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