[3,4,5-triacetyloxy-6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate

HCID 5477014

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Basic information

CAS: 65562-37-0
Standard SMILES: CC(=O)OCC1OC(N2C(=O)/C(=C/c3cccnc3)SC2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: JEMZACCXCHZVTH-IUXPMGMMSA-N
Molecular formula: C23H24N2O10S2
Average molar mass: 552.6 g/mol
Monoisotopic mass: 552.08723731

Names & identifiers

Preferred name: [3,4,5-triacetyloxy-6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate
IUPAC: [3,4,5-triacetyloxy-6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate

Names & synonyms

NSC28417365562-37-0DTXSID90420410NSC-284173(5Z)-5-[(Pyridin-3-yl)methylidene]-2-sulfanylidene-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-thiazolidin-4-one

Database identifiers

CAS: 65562-37-0
PubChem CID: 5477014
DTXSID: DTXSID90420410

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 205 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 13
Rotatable bonds: 11
Heavy atoms: 37
Formal charge: 0
Complexity: 987

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