Cas no 14289-25-9 (Diproleandomycin)

Diproleandomycin structure
Diproleandomycin structure
Product Name:Diproleandomycin
CAS No:14289-25-9
MF:C41H69NO14
MW:799.989
CID:194662
PubChem ID:165365454
Update Time:2024-02-29

Diproleandomycin Chemical and Physical Properties

Names and Identifiers

    • Oleandomycin,4',11-dipropanoate
    • [(2S,3S,4S,6R)-6-[[(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R, 4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]ox y-5,7,9,12,13,15-hexamethyl-10,16-dioxo-14-propanoyloxy-1,11-diox as
    • (3R,5R,6S,7S,8R,12S,13R,14S)-12-[(2,6-dideoxy-3-O-methyl-4-O-propanoyl-alpha-L-arabino-hexopyranosyl)oxy]-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-6-yl propanoate
    • Diproleandomycin [INN:DCF]
    • Diproleandomycina
    • Diproleandomycinum
    • Oleandomycin 4',11-dipropionate
    • Diproleandomycin
    • 4'-O,11-O-Dipropanoyloleandomycin
    • CID 102248348
    • Inchi: 1S/C41H69NO14/c1-14-30(43)53-35-22(5)26(9)52-39(47)25(8)36(55-32-17-29(48-13)37(27(10)51-32)54-31(44)15-2)23(6)34(20(3)18-41(19-49-41)38(46)24(35)7)56-40-33(45)28(42(11)12)16-21(4)50-40/h20-29,32-37,40,45H,14-19H2,1-13H3/t20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,32-,33+,34-,35-,36-,37-,40-,41+/m0/s1
    • InChI Key: HYQJLIGADHPYIR-OJBANTNJSA-N
    • SMILES: O1C[C@@]21C([C@H](C)[C@H]([C@@H](C)[C@@H](C)OC([C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)C2)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)OC(CC)=O)OC)=O)OC(CC)=O)=O

Computed Properties

  • Exact Mass: 799.47180587g/mol
  • Monoisotopic Mass: 799.47180587g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 12
  • Complexity: 1350
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 178
  • XLogP3: 4.7

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