1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
Basic information
- CAS
5116-45-0- Standard SMILES
Cc1cn([C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
VVJYUAYZJAKGRQ-BGZDPUMWSA-N- Molecular formula
- C11H16N2O6
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.10083623
Overview
RN given refers to (beta-D-arabino)-isomer
Names & identifiers
- Preferred name
- 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
- IUPAC
- 1-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
Deoxyglucosylthymine5116-45-01-GPT1-(2'-Deoxy-beta-D-glucopyranosyl)thymine2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-arabino-hexopyranosyl)-5-methyl-RefChem:739361-(2'-deoxy-beta-D-glucopyranosyl)thymine, (D-arabino)-Deoxyglucopyranosylthymine1-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dioneSCHEMBL10704051GPTNSC 402666
Database identifiers
- CAS
5116-45-0- PubChem CID
- 101247
- Nikkaji
- J1.262.166C
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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