Basic information
- CAS
72164-50-2- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O- InChIKey
SNBCLPGEMZEWLU-QXFUBDJGSA-N- Molecular formula
- C12H16ClN3O5
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0778483
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5'-Chloroacetamido-5'-deoxythymidine
- IUPAC
- 2-chloro-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
Names & synonyms
5'-Chloroacetamido-5'-deoxythymidine72164-50-25'-CatDTXSID40222502RefChem:100767DTXCID00144993SCHEMBL29352132NSC 3389555'-(2-Chloroacetamido)-5'-deoxythymidine
Database identifiers
- CAS
72164-50-2- PubChem CID
- 100652
- DTXSID
DTXSID40222502
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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