Cas no 13368-00-8 (Erythromycin,9-amino-9-deoxo- (9CI))

Erythromycin,9-amino-9-deoxo- (9CI) structure
13368-00-8 structure
Product Name:Erythromycin,9-amino-9-deoxo- (9CI)
CAS No:13368-00-8
MF:C37H70N2O12
MW:734.957912921906
CID:182490
PubChem ID:83942
Update Time:2025-04-19

Erythromycin,9-amino-9-deoxo- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Erythromycin,9-amino-9-deoxo- (9CI)
    • erythromyclamine
    • (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name)
    • 9-Amino-9-deoxoerythromycin
    • Erythromycin, 9-amino-9-deoxo-
    • Aids096192
    • Aids-096192
    • (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
    • 13368-00-8
    • XCLJRCAJSCMIND-FRSXEBCHSA-N
    • (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
    • Inchi： 1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27?,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
    • InChI Key： XCLJRCAJSCMIND-FRSXEBCHSA-N
    • SMILES： O([C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)[C@@H]1[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H](CC)[C@](C)([C@@H]([C@@H](C)C([C@H](C)C[C@@]1(C)O)N)O)O)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)OC

Computed Properties

  • Exact Mass: 734.492876
  • Monoisotopic Mass: 734.492876
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 7
  • Complexity: 1140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 18
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 203

Experimental Properties

  • Density: 1.19
  • Boiling Point: 810.3°Cat760mmHg
  • Flash Point: 443.8°C
  • Refractive Index: 1.539

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