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(2S,3S,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3-(trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

HCID 68030652
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Basic information

Standard SMILES
CCOC(=O)/C(=C/c1cccc(C(F)(F)F)c1)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
WTEVTRBUCCHFEQ-XWQARGJTSA-N
Molecular formula
C26H29F3O12
Average molar mass
590.5 g/mol

Names & identifiers

Preferred name
(2S,3S,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3-(trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
IUPAC
ethyl (Z)-2-[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Names & synonyms

(2S,3S,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3-(trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetateSCHEMBL10084349

Database identifiers

PubChem CID
68030652

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
150 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
15
Heavy atoms
41
Formal charge
0
Complexity
995

Related reactions

1 records
New reaction record
HRID 1508444 reaction equation
HRID 1508444As productuspto-grants-2015_12

Compound notes

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