Cas no 118292-15-2 (6-O-Acetylscandoside)

6-O-Acetylscandoside structure
6-O-Acetylscandoside structure
Product Name:6-O-Acetylscandoside
CAS No:118292-15-2
MF:C18H24O12
MW:432.375967025757
CID:2100815
PubChem ID:897
Update Time:2025-04-21

6-O-Acetylscandoside Chemical and Physical Properties

Names and Identifiers

    • 6-O-Acetylscandoside
    • (1S,4aS,5R,7aS)-5-(Acetyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-cyclopenta[c]pyran-4-carboxylic acid
    • DB-089005
    • 85461-03-6
    • AB02322
    • DB-044584
    • 2-acetamido-2-deoxy-beta-d-glucopyranosyl amine
    • 151167-15-6
    • 118292-15-2
    • SCHEMBL14426667
    • 2-ACETAMIDO-1-AMINO-1,2-DIDEOXY-B-D-GLUC OPYRANOSE
    • DB-114619
    • 2-Acetamido-2-deoxy-beta-D-glucopyranosylamine, 97% (HPLC)
    • DB-113678
    • SCHEMBL23635309
    • AKOS030212724
    • AKOS040736204
    • (1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
    • FA146188
    • Inchi: 1S/C18H24O12/c1-6(21)28-9-2-7(3-19)11-12(9)8(16(25)26)5-27-17(11)30-18-15(24)14(23)13(22)10(4-20)29-18/h2,5,9-15,17-20,22-24H,3-4H2,1H3,(H,25,26)
    • InChI Key: DKSJVXMWGQVIEW-UHFFFAOYSA-N
    • SMILES: CC(OC1C2C(C(=O)O)=COC(C2C(CO)=C1)OC1C(O)C(O)C(O)C(CO)O1)=O

Computed Properties

  • Exact Mass: 220.10592162g/mol
  • Monoisotopic Mass: 220.10592162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • Density: 1.64±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Soluble (150 g/l) (25 o C),
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