Basic information
- CAS
101527-53-1- Standard SMILES
O=c1ccn(C(CI)OC(CO)CI)c(=O)[nH]1- InChIKey
RXWTYDCWCPISMG-UHFFFAOYSA-N- Molecular formula
- C9H12I2N2O4
- Average molar mass
- 466.01 g/mol
- Monoisotopic mass
- 465.88865
Names & identifiers
- Preferred name
- 2',3'-Dideoxy-2',3'-diiodo-2',3'-secouridine
- IUPAC
- 1-[1-(1-hydroxy-3-iodopropan-2-yl)oxy-2-iodoethyl]pyrimidine-2,4-dione
Names & synonyms
2',3'-Dideoxy-2',3'-diiodo-2',3'-secouridine101527-53-12,4(1H,3H)-Pyrimidinedione, 1-(1-(2-hydroxy-1-(iodomethyl)ethoxy)-2-iodoethyl)-, (R-(R*,R*))-2,4(1H,3H)-Pyrimidinedione, 1-[1-[2-hydroxy-1-(iodomethyl)ethoxy]-2-iodoethyl]-, [R-(R*,R*)]-DTXSID209062971-[1-[1-(hydroxymethyl)-2-iodo-ethoxy]-2-iodo-ethyl]pyrimidine-2,4-dione4-Hydroxy-1-{1-[(1-hydroxy-3-iodopropan-2-yl)oxy]-2-iodoethyl}pyrimidin-2(1H)-one
Database identifiers
- CAS
101527-53-1- PubChem CID
- 451900
- DTXSID
DTXSID20906297
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…