| Synonyms |
Methylamphotericin B; Amphotericin B Monomethyl Ester; Methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate |
| IUPAC Name |
methyl (1R,3S,5R,6R,9R,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-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate |
| Molecular Weight |
938.11 |
| Molecular Formula |
C48H75NO17 |
| Canonical SMILES |
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)N)O |
| InChI |
InChI=1S/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)62-5)38(55)27-48(61,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59,61H,20-27,49H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1 |
| InChIKey |
UAZIZEMIKKIBCA-TYVGYKFWSA-N |
| Boiling Point |
1102.6±65.0°C (Predicted) |
| Melting Point |
>118°C (dec.) |
| Purity |
≥95% |
| Density |
1.31±0.1 g/cm3 (Predicted) |
| Solubility |
Soluble in DMSO (Slightly), Methanol (Slightly) |
| Appearance |
Dark Yellow to Dark Orange Solid |
| Storage |
Store at -20°C |
| Complexity |
1680 |
| Exact Mass |
973.48000 |
| In Vitro |
Amphotericin B methyl ester inhibits HIV-1 particle production with no significant effect on Gag binding to the plasma membrane, Gag association with lipid rafts, or Gag multimerization. |
| PSA |
308.61000 |
| Target |
HIV; Fungal |
| XLogP3-AA |
2.6 |
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