Basic information
- CAS
72718-33-3- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCC#N)c1=O- InChIKey
JQUAFYUNOCCDRA-HBNTYKKESA-N- Molecular formula
- C13H17N3O5
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.11682065
Names & identifiers
- Preferred name
- 3-(2-Cyanoethyl)thymidine
- IUPAC
- 3-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propanenitrile
- English name
- 3-(2-cyanoethyl)thymidine
- Molecular formula
- C13H17N3O5
- Molecular weight
- 295.29
Names & synonyms
3-(2-Cyanoethyl)thymidine72718-33-3DTXSID50223020RefChem:92182DTXCID501455113-(3-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)propanenitrileThymidine, 3-(2-cyanoethyl)-3-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propanenitrileSCHEMBL2056784
Database identifiers
- CAS
72718-33-3- PubChem CID
- 126306
- DTXSID
DTXSID50223020- Nikkaji
- J2.176.039K
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 523
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Suppliers4 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]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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