(+)-(2R,4S)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)thymine
Basic information
- CAS
136982-90-6- Standard SMILES
Cc1cn([C@@H]2CO[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
BCAWWPAPHSAUQZ-NKWVEPMBSA-N- Molecular formula
- C9H12N2O5
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.07462149
Names & identifiers
- Preferred name
- (+)-(2R,4S)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)thymine
- IUPAC
- 1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
136982-90-6(+)-(2R,4S)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)thymine1-((2R,4S)-2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione(+)-(2R,4S)-1-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]thyminealpha-DioxolaneT1-[(2R,4S)-2-(Hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione.alpha.-DioxolaneTCHEMBL60834SCHEMBL1130181DTXSID201600191-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-
Database identifiers
- CAS
136982-90-6- PubChem CID
- 454130
- DTXSID
DTXSID20160019- ChEMBL
CHEMBL60834- Nikkaji
- J1.095.796F
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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