Cas no 130812-04-3 (N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide)

N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide structure
130812-04-3 structure
Product Name:N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide
CAS No:130812-04-3
MF:C33H55N3O9
MW:637.804510354996
CID:1226798
PubChem ID:9577442
Update Time:2025-04-20

N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide Chemical and Physical Properties

Names and Identifiers

    • N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide
    • LogP
    • N-[(E)-2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylideneamino]acetamide
    • 6108A1
    • Antibiotic 6108A1
    • 6108 A(sub 1)
    • Cirramycin A(sub 1), 20-(acetylhydrazone)
    • Cirramycin A1, 20-(acetylhydrazone)
    • Antibiotic 6108 A(sub 1)
    • 130812-04-3
    • Inchi： 1S/C33H55N3O9/c1-10-27-21(5)31-33(7,45-31)13-11-25(38)18(2)15-23(12-14-34-35-22(6)37)30(20(4)26(39)17-28(40)43-27)44-32-29(41)24(36(8)9)16-19(3)42-32/h11,13-14,18-21,23-24,26-27,29-32,39,41H,10,12,15-17H2,1-9H3,(H,35,37)/b13-11+,34-14-/t18-,19+,20+,21-,23+,24+,26-,27-,29+,30-,31+,32+,33+/m1/s1
    • InChI Key： BEYPIGLXIHAEAA-DRNJPBGBSA-N
    • SMILES： O1[C@@]2([C@@H]1[C@H](C)[C@@H](CC)OC(C[C@@H](O)[C@H](C)[C@@H](O[C@H]1[C@@H](O)[C@@H](N(C)C)C[C@H](C)O1)[C@@H](C/C=N\NC(C)=O)C[C@@H](C)C(C=C2)=O)=O)C |t:42,&1:1,2,3,5,11,13,15,17,18,20,25,28,37|

Computed Properties

  • Exact Mass: 637.39383
  • Monoisotopic Mass: 637.39383
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 7
  • Complexity: 1080
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 13
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 160
  • XLogP3: 2.299

Experimental Properties

  • Density: 1.257
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.567

N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide Related Literature

Related Categories

130812-04-3 (N'-{(1E)-2-[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethylidene}acetohydrazide) Related Products

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