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

HCID 15067856
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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]1Oc1cccc(C#N)c1
InChIKey
GKKZPNKPEJOLPT-XMTFNYHQSA-N
Molecular formula
C18H19NO7S
Average molar mass
393.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL9355510GKKZPNKPEJOLPT-XMTFNYHQSA-N3-cyanophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside

Database identifiers

PubChem CID
15067856

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

6 records
New reaction record

Linked notes

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