Cas no 207976-87-2 (α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo-)

α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo- structure
207976-87-2 structure
Product Name:α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo-
CAS No:207976-87-2
MF:C45H76O12S
MW:841.142754554749
CID:2730753
PubChem ID:56842030
Update Time:2024-03-01

α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo- Chemical and Physical Properties

Names and Identifiers

    • [(2S,3S,4S,5R,6S)-6-[2-hexadecanoyloxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
    • α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo-
    • Diacylsulfoquinovosyl glyceride
    • SQDG lipid
    • UNII-CVV2LM2MRQ
    • 6-Sulfoquinovosyldiacylglycerol
    • DTXSID30174884
    • CVV2LM2MRQ
    • 207976-87-2
    • KM043
    • 6-Sulfoquinovosyl-diacylglycerol
    • KM 043
    • Sulfoquinovosyl diglyceride
    • Inchi： 1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,38-39,42-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-37H2,1-2H3,(H,51,52,53)/b7-5+,13-11+,18-17+,22-20+,27-25+/t38?,39-,42-,43+,44-,45+/m1/s1
    • InChI Key： IIDPUWZBYVLQEU-GMJMQRIKSA-N
    • SMILES： S(C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](OCC(COC(CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)=O)OC(CCCCCCCCCCCCCCC)=O)O1)O)O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 840.50574903g/mol
  • Monoisotopic Mass: 840.50574903g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 37
  • Complexity: 1300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10
  • Topological Polar Surface Area: 195?2

α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo- Related Literature

Related Categories

207976-87-2 (α-D-Glucopyranoside, (2S)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo-) Related Products

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