5-Ethynyl-2'-deoxyuridine
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Identity
5-Ethynyl-2'-deoxyuridine
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID: 472172
5-ethynyl-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside having eniluracil as the nucleobase. It is functionally related to an eniluracil.
2D Structure
Properties
C11H12N2O5
Molecular Formula
252.22
Molecular Weight
g/mol
252.0746
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
99.1
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
463
Complexity
SMILES
Canonical SMILES
SMILES: C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OIsomeric SMILES
SMILES: C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OSynonyms(20)
5-Ethynyl-2'-deoxyuridine61135-33-92'-Deoxy-5-ethynyluridineUridine, 2'-deoxy-5-ethynyl-G373S00W2JDTXSID20976652RefChem:102591DTXCID1014040225-Ethynyl-2'-dUEdU (5-ethynyl-2'-deoxyuridine)MFCD016756875-Ethynyl-dUrdEdU (ethynyldeoxyuridine)5-ethynyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneEDU
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5-Ethynyl-2'-deoxyuridine
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