2'-Deoxy-5-ethyl-4'-thiouridine

HCID 456904
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Basic information

Standard SMILES
CCc1cn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)[nH]c1=O
InChIKey
ONBZWIKPRXQNFE-DJLDLDEBSA-N
Molecular formula
C11H16N2O4S
Average molar mass
272.32 g/mol
Monoisotopic mass
272.08307817

Names & identifiers

Preferred name
2'-Deoxy-5-ethyl-4'-thiouridine
IUPAC
5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Names & synonyms

2'-Deoxy-5-ethyl-4'-thiouridineRefChem:9084135-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione134699-96-0CHEMBL367028SCHEMBL89977942'-Deoxy-5-ethyl-4'thiouridineONBZWIKPRXQNFE-DJLDLDEBSA-N5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Database identifiers

PubChem CID
456904
ChEMBL
CHEMBL367028
Nikkaji
J681.085C

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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