Cas no 112501-15-2 (Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate)

Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate structure
112501-15-2 structure
Product Name:Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate
CAS No:112501-15-2
MF:C48H80N2O16
MW:941.152616500854
CID:198861
PubChem ID:76969737
Update Time:2025-04-19

Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate Chemical and Physical Properties

Names and Identifiers

    • Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate
    • LogP
    • [(11Z,13E)-6-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoeth
    • 112501-15-2
    • Q27257827
    • UNII-3OL4892KSB
    • 4''-O-Acetylspiramycin C
    • Spiramycin III acetate
    • 3OL4892KSB
    • 4''-Acetylspiramycin III
    • LEUCOMYCIN V, 9-O-(5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-ACETATE 3-PROPANOATE, (9(2R,5S,6R))-
    • LEUCOMYCIN V, 9-O-((2R,5S,6R)-5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-ACETATE 3-PROPANOATE
    • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 4(sup B)-acetate 3-propanoate, (9-(2R,5S,6R))-
    • Inchi： 1S/C48H80N2O16/c1-14-37(53)63-36-25-38(54)58-28(3)18-16-15-17-19-35(64-39-21-20-34(49(9)10)29(4)59-39)27(2)24-33(22-23-51)44(45(36)57-13)66-47-42(55)41(50(11)12)43(30(5)61-47)65-40-26-48(8,56)46(31(6)60-40)62-32(7)52/h15-17,19,23,27-31,33-36,39-47,55-56H,14,18,20-22,24-26H2,1-13H3/b16-15+,19-17+/t27-,28-,29-,30-,31+,33+,34+,35+,36-,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1
    • InChI Key： VCZCNQGYDMIUGX-FLROPGNWSA-N
    • SMILES： O1[C@H](C)[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@@H](CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@H](C)C[C@@H]1CC=O)O[C@H]1CC[C@@H]([C@@H](C)O1)N(C)C)OC(CC)=O)OC)O)N(C)C)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)OC(C)=O)O |t:19,21|

Computed Properties

  • Exact Mass: 940.55078447g/mol
  • Monoisotopic Mass: 940.55078447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 16
  • Complexity: 1610
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 208?2

Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,4B-acetate 3-propanoate Related Literature

Related Categories

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