Cas no 110101-92-3 (Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3,3B,4B-triacetate)

Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3,3B,4B-triacetate structure
110101-92-3 structure
Product Name:Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3,3B,4B-triacetate
CAS No:110101-92-3
MF:C49H80N2O17
MW:969.16271686554
CID:198450
PubChem ID:6440719
Update Time:2025-04-19

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

Names and Identifiers

    • Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3,3B,4B-triacetate
    • LogP
    • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3,3(sup B),4(sup B)-triacetate, (9-(2R,5S,6R))-
    • 3'',4''-Diacetylspiramycin II
    • 110101-92-3
    • Inchi： 1S/C49H80N2O17/c1-27-24-35(22-23-52)45(67-48-43(57)42(51(12)13)44(30(4)62-48)66-41-26-49(9,68-34(8)55)47(31(5)61-41)64-33(7)54)46(58-14)38(63-32(6)53)25-39(56)59-28(2)18-16-15-17-19-37(27)65-40-21-20-36(50(10)11)29(3)60-40/h15-17,19,23,27-31,35-38,40-48,57H,18,20-22,24-26H2,1-14H3/b16-15+,19-17+/t27-,28-,29+,30-,31+,35+,36+,37+,38-,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-/m1/s1
    • InChI Key： CXLSZSGBVZGNKM-DWDPOWAOSA-N
    • SMILES： O([C@H]1C[C@](C)([C@H]([C@H](C)O1)OC(C)=O)OC(C)=O)[C@@H]1[C@@H](C)O[C@H]([C@@H]([C@H]1N(C)C)O)O[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(C)=O)OC |t:41,43|

Computed Properties

  • Exact Mass: 968.5459
  • Monoisotopic Mass: 968.545699
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 17
  • Complexity: 1710
  • 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
  • Topological Polar Surface Area: 214
  • XLogP3: 3.8

Experimental Properties

  • Density: 1.2
  • Boiling Point: 927.8°Cat760mmHg
  • Flash Point: 514.9°C
  • Refractive Index: 1.532
  • PSA: 213.59

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

110101-92-3 (Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3,3B,4B-triacetate) Related Products

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