Cas no 115074-93-6 (Soyacerebroside II)

Soyacerebroside II structure
Soyacerebroside II structure
Product Name:Soyacerebroside II
CAS No:115074-93-6
MF:C40H75NO9
MW:714.02
CID:180396
PubChem ID:15599558
Update Time:2025-04-28

Soyacerebroside II Chemical and Physical Properties

Names and Identifiers

    • Hexadecanamide,N-[(1S,2R,3E,7Z)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxy-,(2R)-
    • Soyacerebroside II
    • (2R)-2-hydroxy-N-[(3R,4E,8Z)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
    • Hexadecanamide,N-[(1S,2R,3E,7Z)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-...
    • Soya-cerebroside II
    • Cerebroside B1b
    • (2S,3R,4E,8Z)-1-(β-D-Glucopyranosyloxy)-2-[[(2R)-2-hydroxypalmitoyl]amino]-4,8-octadecadiene-3-ol
    • (2R)-N-[(1S,2R,3E,7Z)-1-(β-D-Glucopyranosyloxymethyl)-2-hydroxy-3,7-heptadecadienyl]-2-hydroxyhexadecanamide
    • (R)-N-[(1S,2R,3E,7Z)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxyhexadecanamide
    • (2R)-N-((1S,2R,3E,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIEN-1-YL)-2-HYDROXYHEXADECANAMIDE
    • 115074-93-6
    • GLUCOSYL CERAMIDE, SOYACEREBROSIDE II-
    • HEXADECANAMIDE, N-((1S,2R,3E,7Z)-1-((beta-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIEN-1-YL)-2-HYDROXY-, (2R)-
    • BCY9V8R8VR
    • 1-O-(beta-d-glucopyranosyl)-(2s,3r,4e,8z)-2-[(2r)-2-hydroxyhexadecanoylamino]-4,8-octadecadiene-1,3-diol
    • FS-10172
    • SoyacerebrosideII
    • (2R)-N-((1S,2R,3E,7Z)-1-((beta-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIEN-1-YL)-2-HYDROXYHEXADECANAMIDE
    • AKOS040759076
    • CS-0016591
    • (2R)-2-Hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
    • HEXADECANAMIDE, N-((1S,2R,3E,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIEN-1-YL)-2-HYDROXY-, (2R)-
    • CHEMBL4212166
    • HEXADECANAMIDE, N-((1S,2R,3E,7Z)-1-((beta-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIENYL)-2-HYDROXY-, (2R)-
    • HY-N1204
    • HEXADECANAMIDE, N-((1S,2R,3E,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-3,7-HEPTADECADIENYL)-2-HYDROXY-, (2R)-
    • Hexadecanamide, N-[(1S,2R,3E,7Z)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxy-, (2R)-
    • (4E,8Z)-1-O-β-D-Glucopyranosyl-N-[(2R)-2-hydroxyhexadecanoyl)-4,8-sphingadienine
    • UNII-BCY9V8R8VR
    • AKOS032948734
    • F92880
    • Hexadecanamide, N-(1-((beta-D-glucopyranosyloxy)methyl)-2-hydroxy-3,7-heptadecadienyl)-2-hydroxy-, (1S-(1R*(S*),2S*,3E,7Z))-
    • B0005-189738
    • Glucosylceramide (plant)
    • Inchi: 1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1
    • InChI Key: HOMYIYLRRDTKAA-QZNXAUJSSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC[C@@H]([C@@H](/C=C/CC/C=C\CCCCCCCCC)O)NC([C@@H](CCCCCCCCCCCCCC)O)=O

Computed Properties

  • Exact Mass: 713.54400
  • Monoisotopic Mass: 713.54418297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 32
  • Complexity: 857
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 169?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 870.1±65.0 °C at 760 mmHg
  • Flash Point: 480.0±34.3 °C
  • PSA: 168.94000
  • LogP: 6.52490
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Soyacerebroside II Security Information

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