ChemSpider 2D Image | beta-D-glucosyl-(1<->1')-N-tricosanoyl-14-methylhexadecasphingosine | C46H89NO8

β-D-glucosyl-(1<->1')-N-tricosanoyl-14-methylhexadecasphingosine

  • Molecular FormulaC46H89NO8
  • Average mass784.201 Da
  • Monoisotopic mass783.658813 Da
  • ChemSpider ID58163567

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-14-methyl-4-hexadecen-2-yl]tricosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-14-methyl-4-hexadecen-2-yl]tricosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-14-méthyl-4-hexadécén-2-yl]tricosanamide [French] [ACD/IUPAC Name]
Tricosanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-13-methyl-3-pentadecen-1-yl]- [ACD/Index Name]
β-D-glucosyl-(1<->1')-N-tricosanoyl-14-methylhexadecasphingosine
GlcCer 40:1
HexCer 40:1
N-[(2S,3R,4E)-1-(β-D-glucopyranosyloxy)-3-hydroxy-14-methylhexadec-4-en-2-yl]tricosanamide
β-D-glucosyl-(1<->1')-N-tricosanoyl-14-methylhexadecasphing-4-enine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3 [DBID]
  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucosylceramide in which a <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl residue attached to the primary hydroxyl group of <element>N</element>-tricosan oyl-14-methylhexadecasphingosine. It is a metabolite of the nematode <ital>Caenorhabditis elegans</ital>. ChEBI CHEBI:132780
      A beta-D-glucosylceramide in which a beta-D-glucosyl residue attached to the primary hydroxyl group of N-tricosan; oyl-14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis e legans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132780
      A beta-D-glucosylceramide in which a beta-D-glucosyl residue attached to the primary hydroxyl group of N-tricosanoyl-14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis ele gans. ChEBI CHEBI:132780

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

Density: 1.0±0.1 g/cm3
Boiling Point: 884.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.0±6.0 kJ/mol
Flash Point: 488.6±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 227.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 14.23
ACD/LogD (pH 5.5): 12.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 757.5±5.0 cm3

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