Cas no 124681-22-7 (D-Glucose,2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]-)

D-Glucose,2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]- structure
124681-22-7 structure
Product Name:D-Glucose,2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]-
CAS No:124681-22-7
MF:C18H35NO7
MW:377.473006486893
CID:157348
PubChem ID:130235
Update Time:2025-04-19

D-Glucose,2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • D-Glucose,2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]-
    • 2-(3-hydroxydodecanoylamino)-2-deoxyglucose
    • 3-hydroxy-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]dodecanamide
    • 2-deoxy-2-[(3-hydroxydodecanoyl)amino]-D-glucose
    • 2-Hdadg
    • D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxododecyl)amino)-
    • 2-Deoxy-2-[(1,3-dihydroxydodecylidene)amino]hexose
    • 124681-22-7
    • DTXSID50924904
    • Inchi: 1S/C18H35NO7/c1-2-3-4-5-6-7-8-9-13(22)10-16(24)19-14(11-20)17(25)18(26)15(23)12-21/h11,13-15,17-18,21-23,25-26H,2-10,12H2,1H3,(H,19,24)/t13?,14-,15+,17+,18+/m0/s1
    • InChI Key: ZSPOMVMMJMVHAN-AGJUIOJISA-N
    • SMILES: OC(CC(N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 377.241
  • Monoisotopic Mass: 377.241
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 16
  • Complexity: 381
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 0.4
  • Topological Polar Surface Area: 147?2

Experimental Properties

  • Density: 1.185
  • Boiling Point: 678.4°Cat760mmHg
  • Flash Point: 364.1°C
  • Refractive Index: 1.519
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