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

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

  • Molecular FormulaC16H26N2O8
  • Average mass374.386 Da
  • Monoisotopic mass374.168915 Da
  • ChemSpider ID23312898
  • 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)-1,2-dihydroxy-3-[(3-methylbutanoyl)amino]propyl}-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,5-didesoxy-6-{(1S,2S)-1,2-dihydroxy-3-[(3-methylbutanoyl)amino]propyl}-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-[(3-methylbutanoyl)amino]-L-glycero-L-altro-non-2-enonic acid
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-6-{(1S,2S)-1,2-dihydroxy-3-[(3-méthylbutanoyl)amino]propyl}-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-[(3-methyl-1-oxobutyl)amino]- [ACD/Index Name]
(4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-(3-methylbutanamido)propyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
CHEMBL252062

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 442.7±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 272.2±5.0 cm3

Click to predict properties on the Chemicalize site






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