5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine

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Basic information

CAS: 116333-41-6
Standard SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C3=CN(C)C=CC3)O2)c(=O)[nH]c1=O
InChIKey: XUUPZVLCORYPPM-BFHYXJOUSA-N
Molecular formula: C17H20N6O5
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.14951776

Overview

structure given in first source

Names & identifiers

Preferred name: 5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate
English name: 5'-(1,4-dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
Molecular weight: 0

Names & synonyms

Azt-cdsH2PyrAZTDPAZTHPAZTZdv-cdsH(2)Pyrazt116333-41-6Zdv chemical delivery system5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidineZdv-5'-(1,4-dihydrotrigonellinate)DTXSID901513535'-((1-Methyl-1,4-dihydropyridin-3-yl)carbonyl)-3'-azido-3'-deoxythymidine

Show more names

RefChem:100742DTXCID3073844AZT ProdrugThymidine, 3'-azido-3'-deoxy-, 5'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate)[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylateAZT-DHPDP-AZT6M38XVC8YD

Database identifiers

CAS: 116333-41-6
PubChem CID: 72184
DTXSID: DTXSID90151353
ChEMBL: CHEMBL3350999
UNII: 6M38XVC8YD
Nikkaji: J304.237E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 828

Experimental & physicochemical properties

LogP0.86

Related reactions

1 records

New reaction record

HRID 481799As productuspto-grants-1998_08

Compound notes

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