Cas no 74290-44-1 (Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI))

Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI) structure
74290-44-1 structure
Product Name:Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI)
CAS No:74290-44-1
MF:C45H73NO15
MW:868.058835744858
CID:568390
PubChem ID:6447398
Update Time:2025-04-19

Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI)
    • [6-[6-[[(11Z,13E)-4-acetyloxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy
    • Tylosin, 23-di-O-de(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)-, 3- acetate-4B-(3-methylbutanoate)-
    • 74290-44-1
    • Inchi: 1S/C45H73NO15/c1-13-34-32(23-48)19-25(4)14-15-33(50)26(5)20-31(16-17-47)41(27(6)35(57-30(9)49)21-37(52)58-34)61-44-40(53)39(46(11)12)42(28(7)56-44)60-38-22-45(10,54)43(29(8)55-38)59-36(51)18-24(2)3/h14-15,17,19,24,26-29,31-32,34-35,38-44,48,53-54H,13,16,18,20-23H2,1-12H3/b15-14-,25-19+
    • InChI Key: NULCSEGISRITNK-SNHUTLMUSA-N
    • SMILES: O1C(C)C(C(C(C1OC1C(C)C(CC(=O)OC(CC)C(CO)C=C(C)C=CC(C(C)CC1CC=O)=O)OC(C)=O)O)N(C)C)OC1CC(C)(C(C(C)O1)OC(CC(C)C)=O)O |c:23,26|

Computed Properties

  • Exact Mass: 867.49802062g/mol
  • Monoisotopic Mass: 867.49802062g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 15
  • Complexity: 1530
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 16
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 28
  • XLogP3: 3.4
  • Topological Polar Surface Area: 214?2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 915.4°C at 760 mmHg
  • Flash Point: 507.4°C
  • Refractive Index: 1.534

Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI) Related Literature

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