Thymidine, 3'-azido-3'-deoxy-, 5'-hexanoate

HCID 452425

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Basic information

CAS: 130683-71-5
Standard SMILES: CCCCCC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]
InChIKey: LUIPEEQBFGQZHM-YNEHKIRRSA-N
Molecular formula: C16H23N5O5
Average molar mass: 365.38 g/mol
Monoisotopic mass: 365.16991885

Names & identifiers

Preferred name: Thymidine, 3'-azido-3'-deoxy-, 5'-hexanoate
IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hexanoate

Names & synonyms

5'-O-Hexanoyl AZTThymidine, 3'-azido-3'-deoxy-, 5'-hexanoate130683-71-55'-O-Hexanoyl-3'-azido-3'-deoxythymidineDTXSID601566733'-Azido-3'-deoxy-5'-O-hexanoylthymidineThymidine, 3'-azido-3'-deoxy-, 5'-hexanoate (9CI)[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hexanoate

Database identifiers

CAS: 130683-71-5
PubChem CID: 452425
DTXSID: DTXSID60156673
Nikkaji: J406.565D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 99.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 26
Formal charge: 0
Complexity: 643

Experimental & physicochemical properties

LogP2.45

Related reactions

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