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Chemical structure of FR179642

GC64321

FR179642

Also known as [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

FR179642 is a key intermediate in the synthesis of the echinocandin antifungal Micafungin

ChemicalCAS168110-44-9MW936.89FormulaC35H52N8O20S
CAS number
168110-44-9
Molecular weight
936.89
Formula
C35H52N8O20S
InChIKey
QCYMOOBOFFUBHZ-CPYYHODSSA-N
Catalogue number
GC64321
Brand
GLPBIO
Computed properties PubChem CID 71714631 · XLogP -9.3 · TPSA 480 Ų · H-bond donors 16
XLogP
-9.3
TPSA
480 Ų
H-bond donors
16
H-bond acceptors
21
Rotatable bonds
9
Heavy atoms
64

SMILES C[C@H]1CN2[C@@H]([C@H]1O)C(=O)N[C@@H]([C@@H](C[C@@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C2=O)[C@@H](CC(=O)N)O)[C@@H]([C@H](C4=CC(=C(C=C4)O)OS(=O)(=O)O)O)O)O)[C@@H](C)O)N)O)O

Computed descriptors from PubChem (CID 71714631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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