Cas no 129046-67-9 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI))

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI) structure
129046-67-9 structure
Product Name:Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
CAS No:129046-67-9
MF:C36H59NO12
MW:697.853172540665
CID:1224314
Update Time:2024-08-04

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
    • MycinamicinI, 12,13-deepoxy-12,13-didehydro-4-demethyl-14-hydroxy-
    • Oxacyclohexadecane,mycinamicin I deriv.
    • Mycinamicin XIV
    • Mycinamycin XIV
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
    • Inchi: 1S/C36H59NO12/c1-10-28-36(42,20-45-35-33(44-9)32(43-8)30(40)24(5)47-35)17-12-11-14-26(38)21(2)18-22(3)27(15-13-16-29(39)49-28)48-34-31(41)25(37(6)7)19-23(4)46-34/h11-14,16-17,21-25,27-28,30-35,40-42H,10,15,18-20H2,1-9H3
    • InChI Key: MGAKDLNEBWLFRK-UHFFFAOYSA-N
    • SMILES: CCC1C(COC2C(OC)C(OC)C(O)C(C)O2)(O)C=CC=CC(=O)C(C)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)CC=CC(=O)O1

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 49
  • XLogP3: 0.745

Experimental Properties

  • Density: 1.20±0.1 g/cm3(Predicted)
  • Boiling Point: 826.0±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 11.97±0.70(Predicted)

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI) Related Literature

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