Iododeoxyuridylate
Basic information
- CAS
1763-02-6- Standard SMILES
O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1I- InChIKey
WXFYBFRZROJDLL-GFCOJPQKSA-N- Molecular formula
- C9H12IN2O8P
- Average molar mass
- 434.08 g/mol
- Monoisotopic mass
- 433.9376
Names & identifiers
- Preferred name
- Iododeoxyuridylate
- IUPAC
- [(2R,3S)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
IododeoxyuridylateDTXSID309387811-(2-Deoxy-5-O-phosphono-D-erythro-pentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
Database identifiers
- CAS
1763-02-6- PubChem CID
- 168944
- DTXSID
DTXSID30938781
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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