ChemSpider 2D Image | beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-oleoylsphingosine | C48H89NO13

β-D-galactosyl-(1->4)-β-D-glucosyl-(1<->1)-N-oleoylsphingosine

  • Molecular FormulaC48H89NO13
  • Average mass888.219 Da
  • Monoisotopic mass887.633362 Da
  • ChemSpider ID24765751

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(9Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-9-octadecenamid [German] [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-9-octadecenamide [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]-9-octadécénamide [French] [ACD/IUPAC Name]
9-Octadecenamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (9Z)- [ACD/Index Name]
β-D-galactosyl-(1-&gt;4)-β-D-glucosyl-(1<->1)-N-oleoylsphingosine
(9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
(9Z)-N-{(2S,3R,4E)-1-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}octadec-9-enamide
1-O-(4-O-b-D-galactopyranosyl-b-D-glucopyranosyl)-Ceramide
1-O-(4-O-β-D-Galactopyranosyl-β-glucopyranosyl)ceramide
1-O-(4-O-β-δ-Galactopyranosyl-β-glucopyranosyl)ceramide
More...

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

  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-glucosyl-(1<arrow>leftright</arrow>1)-<element>N</element>-acylsphingosine in wh ich the ceramide N-acyl group is specified as (9<stereo>Z</stereo>)-octadecenoyl. ChEBI CHEBI:131557
      A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine in which the ceramide N-acyl group is specified as (9Z)-octadecenoyl. ChEBI CHEBI:131557
      A beta-D-galactosyl-(1right4)-beta-D-glucosyl-(1leftright1)-N-acylsphingosine in wh; ich the ceramide N-acyl group is specified as (9Z)-octadecenoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131557

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1003.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.8±6.0 kJ/mol
Flash Point: 560.4±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 242.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 11.74
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4247765.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4247699.50
Polar Surface Area: 228 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 769.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement