ChemSpider 2D Image | 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-[(2,2-dimethylpropanoyl)amino]-L-glycero-L-altro-non-2-enonic acid | C16H26N2O8

5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-[(2,2-dimethylpropanoyl)amino]-L-glycero-L-altro-non-2-enonic acid

  • Molecular FormulaC16H26N2O8
  • Average mass374.386 Da
  • Monoisotopic mass374.168915 Da
  • ChemSpider ID23312901

  • 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-3,5-dideoxy-6-{(1S,2S)-3-[(2,2-dimethylpropanoyl)amino]-1,2-dihydroxypropyl}-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,5-didesoxy-6-{(1S,2S)-3-[(2,2-dimethylpropanoyl)amino]-1,2-dihydroxypropyl}-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-[(2,2-dimethylpropanoyl)amino]-L-glycero-L-altro-non-2-enonic acid
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-6-{(1S,2S)-3-[(2,2-diméthylpropanoyl)amino]-1,2-dihydroxypropyl}-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
L-glycero-L-altro-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-[(2,2-dimethyl-1-oxopropyl)amino]- [ACD/Index Name]
(4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-pivalamidopropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
CHEMBL252265

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

Density: 1.4±0.1 g/cm3
Boiling Point: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 437.9±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


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