Cas no 115414-48-7 (b-D-Glucopyranoside, heptyl2-(acetylamino)-2-deoxy-)

b-D-Glucopyranoside, heptyl2-(acetylamino)-2-deoxy- structure
115414-48-7 structure
Product Name:b-D-Glucopyranoside, heptyl2-(acetylamino)-2-deoxy-
CAS No:115414-48-7
MF:C15H29NO6
MW:319.393865346909
CID:130759
PubChem ID:18805106
Update Time:2025-04-19

b-D-Glucopyranoside, heptyl2-(acetylamino)-2-deoxy- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, heptyl2-(acetylamino)-2-deoxy-
    • HEPTYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
    • HEPTYL 2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSIDE
    • HEPTYL 2-ACETAMIDO-2-DEOXY-SS-D-GLUCOPYRANOSIDE
    • AKOS002687852
    • N-[(2R,3R,4R,5S,6R)-2-heptoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    • 115414-48-7
    • Inchi: 1S/C15H29NO6/c1-3-4-5-6-7-8-21-15-12(16-10(2)18)14(20)13(19)11(9-17)22-15/h11-15,17,19-20H,3-9H2,1-2H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
    • InChI Key: SRZQFVHBXUJPDN-KJWHEZOQSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)NC(C)=O)OCCCCCCC

Computed Properties

  • Exact Mass: 319.19900
  • Monoisotopic Mass: 319.19948764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 9
  • Complexity: 327
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • PSA: 108.25000
  • LogP: 0.30800
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