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4-trifluoromethylphenyl 2,3,4-tri-O-acetyl-1,5-dithio-beta-D-xylopyranoside

HCID 14795341
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C(F)(F)F)cc2)SC[C@H]1OC(C)=O
InChIKey
IGUXVWHJJCRHJI-TWMKSMIVSA-N
Molecular formula
C18H19F3O6S2
Average molar mass
452.5 g/mol
Monoisotopic mass
452.05751515

Names & identifiers

Preferred name
4-trifluoromethylphenyl 2,3,4-tri-O-acetyl-1,5-dithio-beta-D-xylopyranoside
IUPAC
[(3S,4S,5R,6S)-4,5-diacetyloxy-6-[4-(trifluoromethyl)phenyl]sulfanylthian-3-yl] acetate

Names & synonyms

4-trifluoromethylphenyl 2,3,4-tri-O-acetyl-1,5-dithio-beta-D-xylopyranosideSCHEMBL9351834

Database identifiers

PubChem CID
14795341

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
130 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
607

Related reactions

4 records
New reaction record
HRID 5999 reaction equation
HRID 5999As productuspto-grants-1993_09
HRID 6000 reaction equation
HRID 6000As productuspto-grants-1993_09
HRID 2372962 reaction equation
HRID 2372962As productuspto-grants-1992_03
HRID 2372963 reaction equation
HRID 2372963As productuspto-grants-1992_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes