Basic information
- CAS
14260-82-3- Standard SMILES
Cc1cn([C@@H]2C[C@H](CO)[C@@H](I)O2)c(=O)[nH]c1=O- InChIKey
HVIROXRSEGERTP-CSMHCCOUSA-N- Molecular formula
- C10H13IN2O4
- Average molar mass
- 352.13 g/mol
- Monoisotopic mass
- 351.992
Names & identifiers
- Preferred name
- 3'-Deoxy-3'-iodothymidine
- IUPAC
- 1-[(2S,4R,5R)-4-(hydroxymethyl)-5-iodooxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 3'-Deoxy-3'-iodothymidine
- Molecular formula
- C10H13IN2O4
- Molecular weight
- 352.13
Names & synonyms
Thymidine, 3'-deoxy-3'-iodo-RefChem:91045014260-82-33'-Deoxy-3'-iodothymidine1-[(2S,4R,5R)-4-(hydroxymethyl)-5-iodooxolan-2-yl]-5-methylpyrimidine-2,4-dioneDTXSID80931540F902543 inverted exclamation mark -Deoxy-3 inverted exclamation mark -iodothymidine4-Hydroxy-1-[4-(hydroxymethyl)-5-iodooxolan-2-yl]-5-methylpyrimidin-2(1H)-one4-Hydroxy-1-[(2S,4R,5R)-4-(hydroxymethyl)-5-iodooxolan-2-yl]-5-methylpyrimidin-2(1H)-oneIddT3'-IODOTHYMIDINE
Show more names
3’-Deoxy-3’-iodothymidineTHYMIDINE, 3'-DEOXY-3'-IODO3'-Iodo-3'-deoxy-D-thymidine2’,3’-Dideoxy-3’-iodo-5-methyluridine1-(3-iodo-2,3-dideoxy-β-D-erythro-pentofuranosyl)thymine3’-Deoxy-3’-iodothymidine, IddT, 3’-Deoxy-3’-iodo-5-methyluridine3’-Deoxy-3’-iodo thymidine, IddT, 2’,3’-Dideoxy-3’-iodo-5-methyluridine
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 165.5 · 165.5-166 °C(Solv: water (7732-18-5))
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
Chemistry & industry
Applications
Uses3′-Deoxy-3′-iodothymidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Suppliers10 total
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Related reactions
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Compound notes
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