1-(3-Amino-2,3-dideoxy-beta-D-ribo-hexofuranosyl)thymine
Basic information
- CAS
133488-39-8- Standard SMILES
Cc1cn([C@H]2C[C@H](N)C([C@@H](O)CO)O2)c(=O)[nH]c1=O- InChIKey
JQTHJBSNTDLZGU-VTBDLZGYSA-N- Molecular formula
- C11H17N3O5
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.11682065
Names & identifiers
- Preferred name
- 1-(3-Amino-2,3-dideoxy-beta-D-ribo-hexofuranosyl)thymine
- IUPAC
- 1-[(2R,4S)-4-amino-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
133488-39-81-(3-Amino-2,3-dideoxy-beta-D-ribo-hexofuranosyl)thymine3NH-D-ribo-ddT deriv.2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-beta-D-ribo-hexofuranosyl)-5-methyl-DTXSID709281411-(3-Amino-2,3-dideoxy-.beta.-D-ribo-hexofuranosyl)thymine1-(3-Amino-2,3-dideoxyhexofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[(2R,4S)-4-amino-5-[(1S)-1,2-dihydroxyethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[(4xi)-3-Amino-2,3-dideoxy-alpha-L-threo-hexofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-.beta.-D-ribo-hexofuranosyl)-5-methyl-
Database identifiers
- CAS
133488-39-8- PubChem CID
- 452891
- DTXSID
DTXSID70928141
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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