Cas no 586-02-7 ((2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine)

(2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine structure
586-02-7 structure
Product Name:(2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine
CAS No:586-02-7
MF:C48H93NO9
MW:828.253336668015
CID:2013338
PubChem ID:71768128
Update Time:2025-04-21

(2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine Chemical and Physical Properties

Names and Identifiers

    • (2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine
    • (R)-2-hydroxy-tetracosanoic acid-((1S,2R)-1-beta-D-galactopyranosyloximethyl-2-hydroxy-heptadec-3t-enylamide)
    • (R)-2-Hydroxy-tetracosansaeure-((1S,2R)-1-beta-D-galactopyranosyloxymethyl-2-hydroxy-heptadec-3t-enylamid)
    • (2S)-N-[(1S,2R,3E)-1-[(β-D-Galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecenyl]-2-hydroxytetracosanamide
    • Q27145663
    • Phrenosin
    • Phrenosin [MI]
    • 586-02-7
    • 1-(D-galactosyl)-N-(2R)-2-hydroxy-tetracosanoylsphingosine
    • 2-OH-24:0-GalC
    • 1-(beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine
    • TETRACOSANAMIDE, N-((1S,2R,3E)-1-((.BETA.-D-GALACTOPYRANOSYLOXY)METHYL)-2-HYDROXY-3-HEPTADECEN-1-YL)-2-HYDROXY-, (2R)-
    • XRV46R3BSQ
    • Phrenosine (ox brain)
    • Tetracosanamide, N-((1S,2R,3E)-1-((beta-D-galactopyranosyloxy)methyl)-2-hydroxy-3-heptadecen-1-yl)-2-hydroxy-, (2R)-
    • 2-hydroxytetracosanoylgalactosylceramide
    • UNII-XRV46R3BSQ
    • CHEBI:75966
    • (2R)-N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]-2-hydroxytetracosanamide
    • Inchi： 1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,40-46,48,50-55H,3-33,35,37-39H2,1-2H3,(H,49,56)/b36-34+/t40-,41+,42+,43+,44-,45-,46+,48+/m0/s1
    • InChI Key： ZXWQZGROTQMXME-DRXHHKTBSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC([C@@H](CCCCCCCCCCCCCCCCCCCCCC)O)=O

Computed Properties

  • Exact Mass: 827.685
  • Monoisotopic Mass: 827.685
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 41
  • Complexity: 939
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 169A^2
  • XLogP3: 14.9

Experimental Properties

  • Density: 1.05
  • Boiling Point: 923.1°Cat760mmHg
  • Flash Point: 512.1°C
  • Refractive Index: 1.518
  • Specific Rotation: +4.5° (c = 2 in pyridine)

(2S,3R,4E)-1-O-beta-D-galactopyranosyl-N-(2'R)-2'-hydroxytetracosanoylsphingenine Related Literature

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