Basic information
- CAS
1763-02-6- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1I- InChIKey
WXFYBFRZROJDLL-RRKCRQDMSA-N- Molecular formula
- C9H12IN2O8P
- Average molar mass
- 434.08 g/mol
- Monoisotopic mass
- 433.9376
Names & identifiers
- Preferred name
- 5-Iodo-2'-deoxyuridine 5'-monophosphate
- IUPAC
- [(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
5-Iodo-2'-deoxyuridine 5'-monophosphateRefChem:5363211763-02-65-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATEIdUMPCHEMBL1160594Iododeoxyuridylate[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate((2R,3S,5R)-3-Hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate5'-Uridylic acid, 2'-deoxy-5-iodo-5-Iodo-dump5IU
Show more names
dIUMPorb65312SCHEMBL285181orb1734068BDBM50010242DB02324PD060159NS00070609
Database identifiers
- CAS
1763-02-6- PubChem CID
- 449489
- ChEMBL
CHEMBL1160594- Nikkaji
- J830.290A
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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