4-cyanophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside

HCID 15067846
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Basic information

Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(C#N)cc1
InChIKey
BNPJBPDESDRIFD-XMTFNYHQSA-N
Molecular formula
C18H19NO7S
Average molar mass
393.4 g/mol
Monoisotopic mass
393.08822312

Names & identifiers

Preferred name
4-cyanophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
IUPAC
[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(4-cyanophenoxy)thian-3-yl] acetate

Names & synonyms

SCHEMBL9351733BNPJBPDESDRIFD-XMTFNYHQSA-N4-cyanophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside

Database identifiers

PubChem CID
15067846

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
137 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
27

Related reactions

8 records
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Linked notes

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