Basic information
- CAS
120963-45-3- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1I- InChIKey
NEWOWXPKUVLDTM-VMHSAVOQSA-N- Molecular formula
- C10H13IN2O4
- Average molar mass
- 352.13 g/mol
- Monoisotopic mass
- 351.992
Names & identifiers
- Preferred name
- (-)-1-((1S,3R,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl)-5-iodo-1H,3H-pyrimidine-2,4-dione
- IUPAC
- 1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Names & synonyms
(-)-C-IDU120963-45-3(-)-1-((1S,3R,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl)-5-iodo-1H,3H-pyrimidine-2,4-dione(-)-1-[(1S,3R,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-1H,3H-pyrimidine-2,4-dioneSCHEMBL10659809DTXSID709236161-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dione4-Hydroxy-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidin-2(1H)-one4-Hydroxy-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidin-2(1H)-one
Database identifiers
- CAS
120963-45-3- PubChem CID
- 512587
- DTXSID
DTXSID70923616
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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