1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodo-pyrimidine-2,4-dione
Basic information
- CAS
99641-48-2- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2OC3COP(=O)(O)OC3[C@H]2O)cc1I- InChIKey
KHLLWQOPKFKHDU-DVMOCUDESA-N- Molecular formula
- C9H10IN2O8P
- Average molar mass
- 432.06 g/mol
- Monoisotopic mass
- 431.92195
Names & identifiers
- Preferred name
- 1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodo-pyrimidine-2,4-dione
- IUPAC
- 1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodopyrimidine-2,4-dione
Names & synonyms
99641-48-2DTXSID809125715-Iodouridine 3',5'-Cyclic Monnophosphonate1-(2,7-Dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-4-hydroxy-5-iodopyrimidin-2(1H)-one1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodo-pyrimidine-2,4-dione1-[(6R,7R)-2,7-Dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-hydroxy-5-iodopyrimidin-2(1H)-one
Database identifiers
- CAS
99641-48-2- PubChem CID
- 512609
- DTXSID
DTXSID80912571
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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