Cas no 1405-32-9 (amphotericin A)

amphotericin A structure
amphotericin A structure
Product Name:amphotericin A
CAS No:1405-32-9
MF:C47H75NO17
MW:926.094916582108
CID:172613
PubChem ID:10440839
Update Time:2025-04-19

amphotericin A Chemical and Physical Properties

Names and Identifiers

    • Amphotericin B,28,29-dihydro-
    • (4E,6E,8E,10E,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-38-ca
    • amphotericin A
    • 33-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
    • 28,29-Dihydroamphotericin B
    • AMPHOTERICIN B, 28,29-DIHYDRO-
    • (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
    • 6KQ75HL677
    • 1405-32-9
    • SCHEMBL18502166
    • (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-Amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
    • HY-125682
    • Q27265062
    • CS-0092999
    • UNII-6KQ75HL677
    • Inchi: 1S/C47H75NO17/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)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
    • InChI Key: QGGFZZLFKABGNL-MOISJGEISA-N
    • SMILES: O1[C@H]2C[C@H](C=CC=CC=CC=CCCC=CC=C[C@H](C)[C@H]([C@@H](C)[C@H](C)OC(C[C@@H](C[C@@H](CC[C@H]([C@@H](C[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:4,6,8,10,14,16|

Computed Properties

  • Exact Mass: 925.50349992g/mol
  • Monoisotopic Mass: 925.50349992g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 3
  • Complexity: 1620
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 320?2

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