Products 156126-12-4

CAS 156126-12-4 appears in our catalog under these names: n-MCT, North-methanocarbathymidine. Offered by: TRC, MedChemExpress. Available pack sizes: 25mg, Get quote.

Structural formula: {0} (CAS {1})

1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine is a carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively. It is a primary alcohol, a secondary alcohol, a carbobicyclic compound, a C-glycosyl pyrimidine and a pyrimidone. It is functionally related to a thymine.

Source: ChEBI

Identity
Molecular formulaC12H16N2O4
Molecular weight252.27 g/mol
IUPAC name1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-methylpyrimidine-2,4-dione
InChIKeyNOWRLNPOENZFHP-ARHDFHRDSA-N
SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O

Computed by PubChem (NCBI)