Basic information
- Standard SMILES
CC1(C)OC2[C@@H](O1)[C@@H](CI)O[C@H]2n1cc(F)c(=O)[nH]c1=O- InChIKey
YLUWLJRPWHGNDK-KIUGWDQWSA-N- Molecular formula
- C12H14FIN2O5
- Average molar mass
- 412.15 g/mol
Names & identifiers
- Preferred name
- 1-[(4R,6S,6aR)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoropyrimidine-2,4-dione
- IUPAC
- 1-[(4R,6S,6aR)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoropyrimidine-2,4-dione
Names & synonyms
5'-Deoxy-5'-iodo-2',3'-O-isopropylidene-5-fluorouridine61787-10-8YLUWLJRPWHGNDK-KIUGWDQWSA-NAKOS030254518
Database identifiers
- PubChem CID
- 45358538
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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