Cas no 88168-90-5 (b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-)

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- structure
88168-90-5 structure
Product Name:b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-
CAS No:88168-90-5
MF:C33H58O14
MW:678.805232524872
CID:722150
PubChem ID:10009754
Update Time:2024-10-26

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-
    • [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
    • (2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-β-D-galactopyranoside (ACI)
    • β-D-Galactopyranoside, (2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]propyl 6-O-α-D-galactopyranosyl- (9CI)
    • β-D-Galactopyranoside, 2-hydroxy-3-[(1-oxo-9,12-octadecadienyl)oxy]propyl 6-O-α-D-galactopyranosyl-, [S-(Z,Z)]- (ZCI)
    • Gingerglycolipid B
    • beta-D-Galactopyranoside, 2-hydroxy-3-((1-oxo-9,12-octadecadienyl)oxy)propyl 6-O-alpha-D-galactopyranosyl-, (S-(Z,Z))-
    • CHEBI:184627
    • 88168-90-5
    • AKOS040734154
    • beta-D-Galactopyranoside, (2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-alpha-D-galactopyranosyl-
    • DTXSID201316111
    • ((2S)-2-hydroxy-3-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxypropyl) (9Z,12Z)-octadeca-9,12-dienoate
    • DGMG(18:2(9Z,12Z)/0:0)
    • 2-Hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoic acid
    • 1-(9Z,12Z-octadecadienoy)l-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol
    • 2-Hydroxy-3-((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)oxy)propyl (9Z,12Z)-octadeca-9,12-dienoic acid
    • Inchi： 1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
    • InChI Key： UHISGSDYAIIBMO-UMLSMIIMSA-N
    • SMILES： C([C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O1)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 678.382657
  • Monoisotopic Mass: 678.382657
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 24
  • Complexity: 887
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 225
  • XLogP3: 1.9

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- Related Literature

Related Categories

88168-90-5 (b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-) Related Products

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