ChemSpider 2D Image | (13Z)-3-Hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}-13-icosen-1-yl alpha-D-mannopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->6)-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosid uronic acid | C58H106N2O24

(13Z)-3-Hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}-13-icosen-1-yl α-D-mannopyranosyl-(1->2)-α-D-galactopyranosyl-(1->6)-2-amino-2-deoxy-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosid uronic acid

  • Molecular FormulaC58H106N2O24
  • Average mass1215.461 Da
  • Monoisotopic mass1214.713501 Da
  • ChemSpider ID26332412

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 23 defined stereocentres

More details:

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

(13Z)-3-Hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}-13-icosen-1-yl α-D-mannopyranosyl-(1->;2)-α-D-galactopyranosyl-(1->6)-2-amino-2-deoxy-α-D-glucopyranosyl-(1->;4)-α-D-glucopyranosid uronic acid [ACD/IUPAC Name]
(13Z)-3-Hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}-13-icosen-1-yl-α-D-mannopyranosyl-(1->;2)-α-D-galactopyranosyl-(1->6)-2-amino-2-desoxy-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosi duronsäure [German] [ACD/IUPAC Name]
Acide α-D-mannopyranosyl-(1->2)-α-D-galactopyranosyl-(1->6)-2-amino-2-désoxy-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosiduronique de (13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]ami no}-13-icosén-1-yle [French] [ACD/IUPAC Name]
Tetradecanamide, 2-hydroxy-N-[(12Z)-2-hydroxy-1-[[[O-α-D-mannopyranosyl-(1->2)-O-α-D-galactopyranosyl-(1->6)-O-2-amino-2-deoxy-α-D-glucopyranosyl-(1->4)-α-D-glucopyranuronosyl]oxy]meth yl]-12-nonadecen-1-yl]-, (2S)- [ACD/Index Name]
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Man-(1->2)-α-D-Gal-(1->6)-α-D-GlcN-(1->4)-α-D-GlcA
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-mannopyranosyl-(1->;2)-α-D-galactopyranosyl-(1->6)-2-amino-2-deoxy-α-D-glucopyranosyl-(1->;4)-α-D-glucopyranosid
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-mannopyranosyl-(1->;2)-α-D-galactopyranosyl-(1->6)-2-amino-2-deoxy-α-D-glucopyranosyl-(1->;4)-α-D-glucopyranosiduronic acid
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Manp-(1->2)-α-D-Galp-(1->6)-α-D-GlcpN-(1->4)-α-D-GlcpA
missing
uronic acid
  • Miscellaneous

    • Chemical Class:

      A neutral glycosphingolipid comprising a tetrasaccharide unit, <stereo>alpha</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arro w>6)-<stereo>alpha</stereo>-<stereo>D</stereo>-GlcN-(1<arrow>right</arrow>4)-<stereo>alpha</stereo>-<stereo>D</stereo>-GlcA, attached to a (13<stereo>Z</stereo>)-3-hydroxy-2-{[(2<stereo>S</stereo>)-2- hydroxytetradecanoyl]amino}icos-13-en-1-yl lipid group. ChEBI CHEBI:61853
      A neutral glycosphingolipid comprising a tetrasaccharide unit, alpha-D-Man-(1->2)-alpha-D-Gal-(1->6)-alpha-D-GlcN-(1->4)-alpha-D-GlcA, attached to a (13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]ami no}icos-13-en-1-yl lipid group. ChEBI CHEBI:61853
      A neutral glycosphingolipid comprising a tetrasaccharide unit, alpha-D-Man-(1right2)-alpha-D-Gal-(1right6)-alpha-D-GlcN-(1right4)-alpha-D-GlcA, attached to a (13Z)-3-hydroxy-2-{[(2S)-2-; hydroxytetrad ecanoyl]amino}icos-13-en-1-yl lipid group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61853

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1276.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.3±6.0 kJ/mol
Flash Point: 726.0±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 304.8±0.4 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.13
ACD/KOC (pH 5.5): 21.83
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 19.30
Polar Surface Area: 429 Å2
Polarizability: 120.8±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 910.2±5.0 cm3

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