Basic information
- CAS
122568-02-9- Standard SMILES
O=c1[nH]c(=S)ccn1[C@H]1C=C[C@@H](CO)O1- InChIKey
BGYINAMLWJTHHK-POYBYMJQSA-N- Molecular formula
- C9H10N2O3S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.04121336
Names & identifiers
- Preferred name
- 2',3'-Didehydro-2',3'-dideoxy-4-thiouridine
- IUPAC
- 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidenepyrimidin-2-one
- English name
- 2',3'-Didehydro-2',3'-dideoxy-4-thiouridine
- Molecular formula
- C9H10N2O3S
- Molecular weight
- 226.2523
Names & synonyms
ddeUrdS4-Thio-D4U2',3'-Didehydro-2',3'-dideoxy-4-thiouridine122568-02-9CHEMBL86455DTXSID80153649BDBM500131181-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-thioxo-pyrimidin-2-one1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (ddeUrdS)1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one3,4-Dihydro-1-[(5β-hydroxymethyl-2,5-dihydrofuran)-2β-yl]-4-thioxopyrimidin-2(1H)-one
Database identifiers
- CAS
122568-02-9- PubChem CID
- 3000255
- DTXSID
DTXSID80153649- ChEMBL
CHEMBL86455- Nikkaji
- J264.461D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
LogP-0.28
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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