Cas no 55881-07-7 (Leucomycin V,3B,9-diacetate 3,4B-dipropanoate)

Leucomycin V,3B,9-diacetate 3,4B-dipropanoate structure
55881-07-7 structure
Product Name:Leucomycin V,3B,9-diacetate 3,4B-dipropanoate
CAS No:55881-07-7
MF:C45H71NO17
MW:898.041755914688
CID:95332
PubChem ID:5282188
Update Time:2025-04-18

Leucomycin V,3B,9-diacetate 3,4B-dipropanoate Chemical and Physical Properties

Names and Identifiers

    • Leucomycin V,3B,9-diacetate 3,4B-dipropanoate
    • Oxacyclohexadecane,leucomycin V deriv.
    • 3'',9-Diacetylmydecamycin
    • 9,3''-Di-O-acetylmidecamycin
    • Acecamycin
    • Midecamycin acetate
    • Miocamycin
    • Miokamycin
    • Mom
    • Ponsinomycin
    • 3',9-Diacetylmydecamycin
    • 9,3''-diacetylmidecamycin
    • Miocamycin (TN)
    • EINECS 259-879-6
    • 3T48CPS7U2
    • W-105540
    • MIDECAMYCIN ACETATE [WHO-DD]
    • maidimeisu
    • MIOCAMYCIN [MI]
    • CS-0013976
    • NS00011667
    • Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate
    • Midecamycin acetate (JP17)
    • CHEMBL1091024
    • Q3858659
    • DTXSID60905087
    • Macroral
    • Leucomycin V, 3(sup B),9-diacetate 3,4(sup B)-dipropanoate
    • 1ST164052
    • LeucomycinV,3B,9-diacetate3,4B-dipropanoate
    • Miocamen
    • HY-B1921
    • Midecamycin acetate, Antibiotic for Culture Media Use Only
    • Midecamycin acetate [JAN]
    • 55881-07-7
    • UNII-3T48CPS7U2
    • SCHEMBL139293
    • 1532-RB
    • D01636
    • [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
    • Mosil
    • midecamycin diacetate
    • Inchi: 1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
    • InChI Key: GQNZGCARKRHPOH-RQIKCTSVSA-N
    • SMILES: O([C@H]1C[C@](C)([C@H]([C@H](C)O1)OC(CC)=O)OC(C)=O)[C@@H]1[C@@H](C)O[C@H]([C@@H]([C@H]1N(C)C)O)O[C@@H]1[C@H]([C@@H](CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@H](C)C[C@@H]1CC=O)OC(C)=O)OC(CC)=O)OC |t:42,44|

Computed Properties

  • Exact Mass: 897.47200
  • Monoisotopic Mass: 897.47219980g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 63
  • Rotatable Bond Count: 18
  • Complexity: 1590
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 218?2

Experimental Properties

  • Melting Point: ~220° (with coloration)
  • PSA: 218.19000
  • LogP: 3.90900
  • Specific Rotation: D25 -53° (c = 1.0 in chloroform); D20 -74° (c = 1 in methanol)
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