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Structure

(-)-Emtricitabine O-β-D-glucuronide

CAS
152128-78-4
Catalog Number
ACM152128784
Category
Other Products
Molecular Weight
423.37
Molecular Formula
C14H18FN3O9S

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Specification

Synonyms
(2R-cis)-[5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl β-D-Glucopyranosiduronic Acid;
IUPAC Name
(2S,3S,4S,5R,6R)-6-[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
C1C(OC(S1)COC2C(C(C(C(O2)C(=O)O)O)O)O)N3C=C(C(=NC3=O)N)F
InChI Key
KLILDKWVMCMYID-ANAKBQEJSA-N
Exact Mass
423.07500
H-Bond Acceptor
11
H-Bond Donor
5
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