Cas no 56283-74-0 (Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-)

Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)- structure
56283-74-0 structure
Product Name:Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
CAS No:56283-74-0
MF:C37H62O12
MW:698.880993366241
CID:372118
PubChem ID:71454116
Update Time:2025-04-19

Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
    • LAIDLOMYCIN, POTASSIUM SALT
    • 16-Deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)monensin
    • 4-(9-hydroxy-2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimet
    • BRN 1675244
    • Laidlomicina
    • Laidlomicina [INN-Spanish]
    • Laidlomycin [INN:BAN]
    • Laidlomycine
    • Laidlomycine [INN-French]
    • Laidlomycinum
    • Laidlomycinum [INN-Latin]
    • UNII-MI3S6ZF5QE
    • LAIDLOMYCIN [MI]
    • Laidlomicina (INN-Spanish)
    • Laidlomycin
    • MI3S6ZF5QE
    • DTXSID401024015
    • ZNBNBTIDJSKEAM-NISBWGIBSA-N
    • CSU-1
    • 56283-74-0
    • LAIDLOMYCIN [INN]
    • EINECS 260-095-1
    • Laidlomycinum (INN-Latin)
    • (2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
    • Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
    • 16-Deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl) monensin
    • CHEMBL2205250
    • Q15725701
    • Laidlomycine (INN-French)
    • AKOS040746980
    • Inchi： 1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,29-,30+,31-,32+,34-,35-,36+,37-/m0/s1
    • InChI Key： ZNBNBTIDJSKEAM-NISBWGIBSA-N
    • SMILES： O1[C@H](CC[C@@]1(C)[C@H]1[C@@H](C)C[C@H]([C@@H]2[C@@H](C)C[C@@H](C)[C@@](CO)(O)O2)O1)[C@]1(C)CC[C@]2(C[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@H]([C@@H](C(=O)O)C)OC(CC)=O)O2)O)O1

Computed Properties

  • Exact Mass: 698.42412741g/mol
  • Monoisotopic Mass: 698.42412741g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 11
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 170?2

Experimental Properties

  • Density: 1.0932 (rough estimate)
  • Melting Point: 151-153°
  • Boiling Point: 622.45°C (rough estimate)
  • Refractive Index: 1.6390 (estimate)
  • Specific Rotation: D22 +51.3° (c=0.2 in CHCl3)

Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)- Security Information

  • Toxicity：LD50 in mice (mg/kg): 5 i.p.; 1 i.v.; 2.5 s.c. (Kitame)

Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)- Related Literature

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