2',3'-Dideoxy-3'-O-methylthymidine
Basic information
- CAS
108895-42-7- Standard SMILES
CO[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
ZGBKEOLAPVBJFC-DJLDLDEBSA-N- Molecular formula
- C11H16N2O5
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.10592162
Overview
inhibits duck hepatitis B virus replication
Names & identifiers
- Preferred name
- 2',3'-Dideoxy-3'-O-methylthymidine
- IUPAC
- 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 2',3'-dideoxy-3'-O-methylthymidine
- Molecular formula
- C11H16N2O5
- Molecular weight
- 256.25514
Names & synonyms
108895-42-72',3'-Dideoxy-3'-O-methylthymidineDTXSID00148759RefChem:80036DTXCID50712503'-O-MethylthymidineThymidine, 3'-O-methyl-1-((2R,4S,5R)-5-(Hydroxymethyl)-4-methoxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dioneOMETNSC6654823'-Methoxy-2',3'-dideoxythymidineNSC 665482
Show more names
3'-OMe-ddTSCHEMBL523267CHEMBL31437201-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
108895-42-7- PubChem CID
- 72250
- DTXSID
DTXSID00148759- ChEMBL
CHEMBL3143720- Nikkaji
- J263.847I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- solubility
- soluble in Chloroform, Dichloromethane, Methanol
- form
- Solid
- color
- Blue
Chemistry & industry
Applications
UsesAn intermediate in the preparation of anti-HIV pharmaceuticals
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Related reactions
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Compound notes
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