4'-Cyanothymidine
Basic information
- CAS
139888-11-2- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@](C#N)(CO)O2)c(=O)[nH]c1=O- InChIKey
LOOAUVYUIGMRGU-VAOFZXAKSA-N- Molecular formula
- C11H13N3O5
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.08552052
Names & identifiers
- Preferred name
- 4'-Cyanothymidine
- IUPAC
- (2R,3S,5R)-3-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
Names & synonyms
4'-CyanothymidineThymidine, 4'-cyano-139888-11-24'-CN-Tbeta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-4-C-(hydroxymethyl)-N5KU5J3LZHSCHEMBL1417543LOOAUVYUIGMRGU-VAOFZXAKSA-N149252-67-5(2R,3S,5R)-3-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carbonitrile.beta.-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-4-C-(hydroxymethyl)-
Database identifiers
- CAS
139888-11-2- PubChem CID
- 452277
- UNII
- N5KU5J3LZH
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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