Basic information
- CAS
84558-94-1- Standard SMILES
CC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
HFJMJLXCBVKXNY-IVZWLZJFSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- 5-(1-Propynyl)-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
- English name
- 5-PROPYNYL-2'-DEOXYURIDINE
- Molecular formula
- C12H14N2O5
- Molecular weight
- 266.25
Names & synonyms
84558-94-15-(1-propynyl)-2'-deoxyuridine5-PROPYNYL-2'-DEOXYURIDINE1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione2'-deoxy-5-propynyluridine1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(prop-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-1-ynyl-pyrimidine-2,4-dione5-propynyl-dUrd2'-Deoxy-5-prop-1-ynyluridineSCHEMBL439722CHEMBL222961SCHEMBL7707472
Show more names
PYdU5-(1-Propynyl)-5-demethylthymidineUridine, 2'-deoxy-5-(1-propyn-1-yl)-
2'-Deoxy-5-propynyl-D-uridineDTXSID80333080HFJMJLXCBVKXNY-IVZWLZJFSA-N2'-deoxy-5-(1-propynyl)uridineAG-H-37859ND028382'-Deoxy-5-(prop-1-yn-1-yl)uridine
Database identifiers
- CAS
84558-94-1- PubChem CID
- 480265
- DTXSID
DTXSID80333080- ChEMBL
CHEMBL222961- Nikkaji
- J329.208H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.10(Predicted)
Chemistry & industry
Applications
Uses5-(1-Propynyl)-2’-deoxyuridine enhances DNA triplex formation and stability.
Suppliers5 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
上海烁点生物科技有限公司18221553137
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
7 records
Compound notes
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