Basic information
- CAS
123533-12-0- Standard SMILES
[C-]#[N+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
NQXZOJJOKDQOHV-DJLDLDEBSA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.0906059
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 3'-Isocyano-3'-deoxythymidine
- IUPAC
- 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 3'-isocyano-3'-deoxythymidine
- Molecular formula
- C11H13N3O4
- Molecular weight
- 251.24
Names & synonyms
3'-Isocyano-3'-deoxythymidine123533-12-0DTXSID40154036RefChem:90445DTXCID7076527(2S,3S,5R)-2-(hydroxymethyl)-3-isocyano-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolane3'-deoxy-3'-isocyanothymidine3'-Isocyano-dT3'-Isocyano-ddThdThymidine, 3'-isocyano-1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyano-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
123533-12-0- PubChem CID
- 72272
- DTXSID
DTXSID40154036- Nikkaji
- J265.285D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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