ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-{[(2-furylmethyl)carbamoyl]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C17H23N3O9

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

  • Molecular FormulaC17H23N3O9
  • Average mass413.379 Da
  • Monoisotopic mass413.143433 Da
  • ChemSpider ID28507900

  • 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-{[(2-furylmethyl)carbamoyl]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-{[(2-furylmethyl)carbamoyl]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-{[(2-furylméthyl)carbamoyl]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-[[[(2-furanylmethyl)amino]carbonyl]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: 898.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 271.8±5.0 cm3

Click to predict properties on the Chemicalize site


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