Barbituric acid, 5-allyl-5-(2-hydroxy-3-iodopropyl)-
Basic information
- CAS
3258-52-4- Standard SMILES
C=CCC1(CC(O)CI)C(=O)NC(=O)NC1=O- InChIKey
VLBIQAYKOLLFSH-UHFFFAOYSA-N- Molecular formula
- C10H13IN2O4
- Average molar mass
- 352.13 g/mol
- Monoisotopic mass
- 351.992
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(2-hydroxy-3-iodopropyl)-
- IUPAC
- 5-(2-hydroxy-3-iodopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
3258-52-4BARBITURIC ACID, 5-ALLYL-5-(2-HYDROXY-3-IODOPROPYL)-RefChem:10776215-Allyl-5-(2-hydroxy-3-iodopropyl)barbituric acidBRN 0257212Acide 5-allyl-5-(beta-hydroxy-gamma-iodopropyl)barbiturique [French]Kwas 5-allilo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy [Polish]4-25-00-00458 (Beilstein Handbook Reference)DTXSID70954304Acide 5-allyl-5-(beta-hydroxy-gamma-iodopropyl)barbituriqueKwas 5-allilo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy4,6-Dihydroxy-5-(2-hydroxy-3-iodopropyl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
3258-52-4- PubChem CID
- 18624
- DTXSID
DTXSID70954304- Nikkaji
- J84.847F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…