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Chemical structure of 7DW8-5

GC75831

7DW8-5

Also known as N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-11-(4-fluorophenyl)undecanamide

7DW8-5 (4-Fluorophenylundecanoyl-α-galactosylceramide) is an ester product

ChemicalCAS1056025-00-3MW742.01FormulaC41H72FNO9
CAS number
1056025-00-3
Molecular weight
742.01
Formula
C41H72FNO9
InChIKey
GIXLTJURKGIRDL-IWVUWWQKSA-N
Catalogue number
GC75831
Brand
GLPBIO
Computed properties PubChem CID 25105201 · XLogP 9.4 · TPSA 169 Ų · H-bond donors 7
XLogP
9.4
TPSA
169 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
31
Heavy atoms
52

SMILES CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC2=CC=C(C=C2)F)O)O

Computed descriptors from PubChem (CID 25105201), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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