Basic information
- CAS
80791-94-2- Standard SMILES
Nc1nc(=O)n(C2OC(CO)C(O)C2Cl)cc1I- InChIKey
XHGDZEOKQCXKNX-UHFFFAOYSA-N- Molecular formula
- C9H11ClIN3O4
- Average molar mass
- 387.56 g/mol
- Monoisotopic mass
- 386.94828
Names & identifiers
- Preferred name
- 4-Amino-1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
- IUPAC
- 4-amino-1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Names & synonyms
NSC38245480791-94-2DTXSID501001531NSC-3824541-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol
Database identifiers
- CAS
80791-94-2- PubChem CID
- 343243
- DTXSID
DTXSID501001531
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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