Cas no 119772-49-5 (D-Glucitol,1-deoxy-1-[methyl(1-oxoundecyl)amino]-)

D-Glucitol,1-deoxy-1-[methyl(1-oxoundecyl)amino]- structure
119772-49-5 structure
Product Name:D-Glucitol,1-deoxy-1-[methyl(1-oxoundecyl)amino]-
CAS No:119772-49-5
MF:C18H37NO6
MW:363.489486455917
CID:153113
PubChem ID:147863
Update Time:2025-04-19

D-Glucitol,1-deoxy-1-[methyl(1-oxoundecyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • D-Glucitol,1-deoxy-1-[methyl(1-oxoundecyl)amino]-
    • D-Glucitol, 1-deoxy-1-(methyl(1-oxoundecyl)amino)-
    • N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]undecanamide
    • 1-deoxy-1-[methyl(undecanoyl)amino]-D-glucitol
    • MEGA 11
    • Mega-11
    • DTXSID90152582
    • 119772-49-5
    • 1-Deoxy-(N-methylundecanamido)-D-glucitol
    • Inchi: 1S/C18H37NO6/c1-3-4-5-6-7-8-9-10-11-16(23)19(2)12-14(21)17(24)18(25)15(22)13-20/h14-15,17-18,20-22,24-25H,3-13H2,1-2H3/t14-,15+,17+,18+/m0/s1
    • InChI Key: PGNXLDQQCINNPZ-BURFUSLBSA-N
    • SMILES: O[C@@H]([C@@H]([C@@H](CO)O)O)[C@H](CN(C)C(CCCCCCCCCC)=O)O

Computed Properties

  • Exact Mass: 363.26221
  • Monoisotopic Mass: 363.262088
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 15
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 122
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.139
  • Boiling Point: 603.5°Cat760mmHg
  • Flash Point: 318.8°C
  • Refractive Index: 1.518
  • PSA: 121.46

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