ChemSpider 2D Image | 5-Acetamido-2,6-anhydro-3,5-dideoxy-3-C-[3'-(p-tolyl)prop-2'-enyl]-D-glycero-D-galacto-non-2-enonic acid | C21H27NO8

5-Acetamido-2,6-anhydro-3,5-dideoxy-3-C-[3'-(p-tolyl)prop-2'-enyl]-D-glycero-D-galacto-non-2-enonic acid

  • Molecular FormulaC21H27NO8
  • Average mass421.441 Da
  • Monoisotopic mass421.173676 Da
  • ChemSpider ID24750832

  • 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-(4-methylphenyl)-2-propen-1-yl]-6-[(1R,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-(4-methylphenyl)-2-propen-1-yl]-6-[(1R,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-(4-Methylphenyl)prop-2-En-1-Yl]-D-Glycero-D-Galacto-Non-2-Enonic Acid
5-Acetamido-2,6-anhydro-3,5-dideoxy-3-C-[3'-(p-tolyl)prop-2'-enyl]-D-glycero-D-galacto-non-2-enonic acid
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-3-[(2E)-3-(4-méthylphényl)-2-propén-1-yl]-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-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 811.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.6±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 299.8±5.0 cm3

Click to predict properties on the Chemicalize site


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