Cas no 12609-89-1 (Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)-)

Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)- structure
12609-89-1 structure
Product Name:Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)-
CAS No:12609-89-1
MF:C47H71NO17
MW:922.063156366348
CID:160954
PubChem ID:6440819
Update Time:2025-04-19

Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)- Chemical and Physical Properties

Names and Identifiers

    • Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)-
    • (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,29R,32R,33R,35S,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,29,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,27-
    • Mycoheptin
    • (1S,3R,4S,7R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
    • Amphotericin B, 5,8,9-trideoxy-7,10-dihydroxy-5-oxo-
    • Antibiotic 281471
    • Antibiotic 44 VI
    • Mycoheptyne
    • 5,8,9-Trideoxy-7,10-dihydroxy-5-oxoamphotericin B
    • 5-OXO-5-DEOXY-28,29-DIDEHYDRONYSTATIN
    • M1WCP74LP5
    • UNII-M1WCP74LP5
    • Q27283362
    • (7R,10R)-5,8,9-TRIDEOXY-7,10-DIHYDROXY-5-OXOAMPHOTERICIN B
    • 12609-89-1
    • AMPHOTERICIN B, 5,8,9-TRIDEOXY-7,10-DIHYDROXY-5-OXO-, (7R,10R)-
    • (1S,3R,4R,7R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
    • Inchi： 1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-31,33-38,40-44,46,49,51-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
    • InChI Key： GXLOOVOKGBOVIH-YPBFURFVSA-N
    • SMILES： O1[C@H]2C[C@H](C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H]([C@@H](C)[C@H](C)OC(C[C@@H](CC(C[C@@H](CC[C@H]([C@@H](C[C@@]1(C[C@@H]([C@H]2C(=O)O)O)O)O)O)O)=O)O)=O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)N)O |t:4,6,8,10,12,14,16|

Computed Properties

  • Exact Mass: 921.47219980g/mol
  • Monoisotopic Mass: 921.47219980g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 3
  • Complexity: 1710
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 18
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 7
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 316?2

Experimental Properties

  • Density: 1.1609 (rough estimate)
  • Boiling Point: 803.51°C (rough estimate)
  • Refractive Index: 1.5280 (estimate)

Amphotericin B,5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, (7R,10R)- Related Literature

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