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Chemical structure of Amphotericin B methyl ester

GC60047

Amphotericin B methyl ester

Also known as methyl (1R,3S,5S,8S,9S,11R,15S,16S,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-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

Amphotericin B methyl ester is the methyl ester derivative of the polyene antibiotic Amphotericin B (A634250)

ChemicalCAS36148-89-7MW938.11FormulaC48H75NO17
CAS number
36148-89-7
Molecular weight
938.11
Formula
C48H75NO17
Solubility
DMSO ： 50 mg/mL (53·30 mM; Need ultrasonic)
InChIKey
LALMAHYFXASBSU-UDIOBJFLSA-N
Catalogue number
GC60047
Brand
GLPBIO
Computed properties PubChem CID 6473720 · XLogP 2.6 · TPSA 309 Ų · H-bond donors 11
XLogP
2.6
TPSA
309 Ų
H-bond donors
11
H-bond acceptors
18
Rotatable bonds
4
Heavy atoms
66

SMILES C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](CC[C@@H]([C@H](C[C@H](CC(=O)O[C@H]([C@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

Computed descriptors from PubChem (CID 6473720), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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