Cas no 109430-50-4 (Sulfonoglycolipid)

Sulfonoglycolipid structure
Sulfonoglycolipid structure
Product Name:Sulfonoglycolipid
CAS No:109430-50-4
MF:C41H78O12S
MW:795.115833759308
CID:188023
PubChem ID:159321
Update Time:2024-02-27

Sulfonoglycolipid Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside,2,3-bis[(1-oxohexadecyl)oxy]propyl 6-deoxy-6-sulfo-
    • 2,3-Bis(palmitoyloxy)propyl 6-deoxy-6-sulfo-α-D-glucopyranoside
    • sulfoquinovosyl dipalmitoyl glyceride
    • 2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
    • 2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
    • alpha-D-Glucopyranoside, 2,3-bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-
    • BRN 1279617
    • Sulfonoglycolipid
    • sulfonoquinovosyl dipalmitoyl glyceride
    • BDBM50292392
    • 2,3-Bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfohexopyranoside
    • 2,3-Bis(hexadecanoyloxy)propyl 6-sulfo-6-deoxy-alpha-D-glucopyranoside
    • 1,2-Dipalmitoyl-3-O-alpha-6'''-sulfoquinovosylglycerol
    • 109430-50-4
    • [(2S,3S,4S,5R,6S)-6-[2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
    • DTXSID40911161
    • CHEMBL504516
    • SCHEMBL6925719
    • Inchi: 1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34?,35-,38-,39+,40-,41+/m1/s1
    • InChI Key: RVUUQPKXGDTQPG-PINKXYAGSA-N
    • SMILES: S(C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)O1)O)O)O)(=O)(=O)O
    • BRN: 1279617

Computed Properties

  • Exact Mass: 794.521399
  • Monoisotopic Mass: 794.521399
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 38
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 195
  • XLogP3: 11.5

Experimental Properties

  • Density: 1.12
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.512
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