2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodo-, (2S-cis)-
Basic information
- CAS
137530-44-0- Standard SMILES
Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1I- InChIKey
DPXBMYJQASAVRO-RITPCOANSA-N- Molecular formula
- C8H10IN3O3S
- Average molar mass
- 355.16 g/mol
- Monoisotopic mass
- 354.94876
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodo-, (2S-cis)-
- IUPAC
- 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidin-2-one
Names & synonyms
Oxathiolan, 5IC-(+)-beta137530-44-02(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodo-, (2S-cis)-(+)-(2S,5R)-5-Iodo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine(+)-(2S,5R)-5-Iodo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-pyrimidin-2-one2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-, (2S-cis)-5-I SddC, 5-ISddCOxathiolan, 5IC-(+).b.CHEMBL328799SCHEMBL6403825DLS-026
Show more names
DTXSID901602282'-Deoxy-5-iodo-3'-thiacytidine4-Amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidin-2(1H)-one
Database identifiers
- CAS
137530-44-0- PubChem CID
- 455176
- DTXSID
DTXSID90160228- ChEMBL
CHEMBL328799- Nikkaji
- J558.741G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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