Basic information
- CAS
138420-49-2- Standard SMILES
O=c1ccn(C2CC(CO)(CO)C2)c(=O)[nH]1- InChIKey
AIRWAARKRQOYEY-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil
- IUPAC
- 1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
Names & synonyms
138420-49-21-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil3,3-OHMe-cyclobutyl-U1-(3,3-Bis(hydroxymethyl)cyclobutyl)pyrimidine-2,4(1H,3H)-dione1-[3,3-Bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4(1H,3H)-dione1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dioneDTXSID80160676
Database identifiers
- CAS
138420-49-2- PubChem CID
- 453452
- DTXSID
DTXSID80160676- Nikkaji
- J458.541K
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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