5-(Hydroxymethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Basic information
- CAS
91912-31-1- Standard SMILES
O=C(O)c1[nH]c(=O)[nH]c(=O)c1CO- InChIKey
WJPUIAHEIGFMSY-UHFFFAOYSA-N- Molecular formula
- C6H6N2O5
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.0276713
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
- IUPAC
- 5-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
91912-31-15-(hydroxymethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidDTXSID40315660RefChem:300509DTXCID80266783NSC2957595-(hydroxymethyl)-orotic acidSCHEMBL8150090NSC-295759DA-00899
Database identifiers
- CAS
91912-31-1- PubChem CID
- 326068
- DTXSID
DTXSID40315660
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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