ChemSpider 2D Image | 5-(Acetylamino)-2,6-Anhydro-3,5-Dideoxy-3-[(2e)-3-Phenylprop-2-En-1-Yl]-D-Glycero-L-Altro-Non-2-Enonic Acid | C20H25NO8

5-(Acetylamino)-2,6-Anhydro-3,5-Dideoxy-3-[(2e)-3-Phenylprop-2-En-1-Yl]-D-Glycero-L-Altro-Non-2-Enonic Acid

  • Molecular FormulaC20H25NO8
  • Average mass407.414 Da
  • Monoisotopic mass407.158020 Da
  • ChemSpider ID35033388
  • Double-bond stereo - Double-bond stereo

    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-3-[(2E)-3-phenyl-2-propen-1-yl]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,5-didesoxy-3-[(2E)-3-phenyl-2-propen-1-yl]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
5-(Acetylamino)-2,6-Anhydro-3,5-Dideoxy-3-[(2e)-3-Phenylprop-2-En-1-Yl]-D-Glycero-L-Altro-Non-2-Enonic Acid
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-3-[(2E)-3-phényl-2-propén-1-yl]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-L-altro-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenyl-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 284.1±5.0 cm3

Click to predict properties on the Chemicalize site






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