Orotate
PubChem CID: 1492348
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | orotate, 73-97-2, 2,4-dioxo-1H-pyrimidine-6-carboxylate, CHEBI:30839, DTXSID80363448, PXQPEWDEAKTCGB-UHFFFAOYSA-M, AG-G-93379, Q27104157, 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
|---|---|
| Topological Polar Surface Area | 98.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dioxo-1H-pyrimidine-6-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Is Pains | False |
| Molecular Formula | C5H3N2O4- |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXQPEWDEAKTCGB-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Orotate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 155.009 |
| Formal Charge | -1.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 155.009 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 155.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.569288163636364 |
| Inchi | InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1 |
| Smiles | C1=C(NC(=O)NC1=O)C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients