Methyl dihydroorotate
Basic information
- CAS
23903-57-3- Standard SMILES
COC(=O)C1CC(=O)NC(=O)N1- InChIKey
LRRONAYCHITNSG-UHFFFAOYSA-N- Molecular formula
- C6H8N2O4
- Average molar mass
- 172.14 g/mol
- Monoisotopic mass
- 172.04840674
Names & identifiers
- Preferred name
- Methyl dihydroorotate
- IUPAC
- methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
- English name
- Dihydroorotate Acid Methyl Ester
- Molecular formula
- C6H8N2O4
- Molecular weight
- 172.14
Names & synonyms
23903-57-3Methyl dihydroorotateDihydroorotate Acid Methyl Estermethyl 2,6-dioxo-1,3-diazinane-4-carboxylateMethyl 2,6-dioxohexahydropyrimidine-4-carboxylate4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, methyl esterSCHEMBL10479238DTXSID70341654LRRONAYCHITNSG-UHFFFAOYSA-NAKOS027276429DA-07794Methyl 2,6-dioxohexahydro-4-pyrimidinecarboxylate #
Show more names
methyl 2,6-dioxo-hexahydropyrimidine-4-carboxylate
Database identifiers
- CAS
23903-57-3- PubChem CID
- 574666
- DTXSID
DTXSID70341654
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 204 · 204-206°C
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.2 · 10.20±0.40(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesDihydroorotate Acid Methyl Ester is a chemical reagent interacting with the dihydroorotate dehydrogenase enzyme in bovine liver mitochondria. This compound is suitable for dihydroorotate dehydrogenase (DHODH) related research.
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Compound notes
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