Cas no 75007-09-9 (methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside)

methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside structure
75007-09-9 structure
Product Name:methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside
CAS No:75007-09-9
MF:C16H30N2O6S
MW:378.48420381546
CID:1771442
PubChem ID:173326
Update Time:2025-04-21

methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside Chemical and Physical Properties

Names and Identifiers

    • methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside
    • N-[2-methoxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methylpyrrolidine-2-carboxamide
    • Bu 2545
    • Antibiotic Bu 2545
    • Antibiotic Bu-2545
    • DTXSID20996512
    • 75007-09-9
    • Methyl 6,8-dideoxy-6-{[hydroxy(1-methylpyrrolidin-2-yl)methylidene]amino}-7-O-methyl-1-thiooctopyranoside
    • N-[2-methoxy-1-(3,4,5-trihydroxy-6-methylsulanyloxan-2-yl)propyl]-1-methylpyrrolidine-2-carboxamide
    • BU-2545
    • CHEBI:223557
    • D-erythro-alpha-D-galacto-Octopyranoside, methyl 6,8-dideoxy-7-O-methyl-6-(((1-methyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, (S)-
    • Inchi： 1S/C16H30N2O6S/c1-8(23-3)10(17-15(22)9-6-5-7-18(9)2)14-12(20)11(19)13(21)16(24-14)25-4/h8-14,16,19-21H,5-7H2,1-4H3,(H,17,22)
    • InChI Key： WVXCVWNSJUNIRQ-UHFFFAOYSA-N
    • SMILES： S(C)C1C(C(C(C(C(C(C)OC)NC(C2CCCN2C)=O)O1)O)O)O

Computed Properties

  • Exact Mass: 378.1826
  • Monoisotopic Mass: 378.182
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 456
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.7
  • Topological Polar Surface Area: 137A^2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 606°C at 760 mmHg
  • Flash Point: 320.3°C
  • Refractive Index: 1.575
  • PSA: 111.49

methyl 6,8-dideoxy-7-O-methyl-6-[(1-methylprolyl)amino]-1-thiooctopyranoside Related Literature

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