Cas no 130482-07-4 (Leucomycin V,9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 4B-acetate,[9(2R,5S,6R)]- (9CI))

Leucomycin V,9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 4B-acetate,[9(2R,5S,6R)]- (9CI) structure
130482-07-4 structure
Product Name:Leucomycin V,9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 4B-acetate,[9(2R,5S,6R)]- (9CI)
CAS No:130482-07-4
MF:C45H76N2O15
MW:885.08935546875
CID:144009
PubChem ID:76956190
Update Time:2025-04-19

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

Names and Identifiers

    • Leucomycin V,9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 4B-acetate,[9(2R,5S,6R)]- (9CI)
    • LogP
    • [6-[4-(dimethylamino)-6-[[(11Z,13E)-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-
    • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 4B-acetate, (9(2R,5S,6R))-
    • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 4(sup B)-acetate, (9-(2R,5S,6R))-
    • Spiramycin I acetate
    • 02245B2190
    • 130482-07-4
    • 4''-Acetylspiramycin I
    • UNII-02245B2190
    • Q27231478
    • Inchi： 1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(52)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(29(5)57-37)59-30(6)49)42(54-12)33(50)23-35(51)55-26(2)16-14-13-15-17-34(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,50,52-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33-,34+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
    • InChI Key： UYYKLUHBJONOFA-RMDIIMEUSA-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)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: 884.52456972g/mol
  • Monoisotopic Mass: 884.52456972g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 13
  • Complexity: 1480
  • 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: 2.7
  • Topological Polar Surface Area: 201?2

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

130482-07-4 (Leucomycin V,9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 4B-acetate,[9(2R,5S,6R)]- (9CI)) Related Products

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