Cas no 129046-68-0 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI))

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI) structure
129046-68-0 structure
Product Name:Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
CAS No:129046-68-0
MF:C35H57NO12
MW:683.826592206955
CID:216282
Update Time:2024-03-01

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,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-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7
    • Mycinamicin XV
    • MycinamicinI, 12,13-deepoxy-12,13-didehydro-2B,3B-di-O-demethyl-14-hydroxy-
    • Mycinamycin XV
    • Oxacyclohexadecane, mycinamicin I deriv.
    • Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-β-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
    • Inchi: 1S/C35H57NO12/c1-9-26-35(43,18-44-33-31(42)30(41)28(39)23(6)46-33)15-11-10-12-25(37)20(3)16-21(4)32(19(2)13-14-27(38)47-26)48-34-29(40)24(36(7)8)17-22(5)45-34/h10-15,19-24,26,28-34,39-43H,9,16-18H2,1-8H3
    • InChI Key: IOEAOHLFINUPGX-UHFFFAOYSA-N
    • SMILES: CCC1C(COC2C(O)C(O)C(O)C(C)O2)(O)C=CC=CC(=O)C(C)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C=CC(=O)O1

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 48
  • XLogP3: 0.858

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Predicted)
  • Boiling Point: 843.0±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 11.98±0.70(Predicted)

Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI) Related Literature

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