Orotidine
PubChem CID: 92751
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Orotidine, 314-50-1, 6-Carboxyuridine, 3-Ribofuranosylorotic acid, Uridin-6-carboxylic acid, Uridine-6-carboxylic acid, UNII-B350MC02GZ, Orotic acid riboside, B350MC02GZ, 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid, OROTIDINE [MI], Uridine-6-carboxylicacid, 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-3-b-D-ribofuranosyl-, CHEBI:25722, 3-.BETA.-D-RIBOFURANOSYLOROTIC ACID, 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-.beta.-D-ribofuranosyl-, 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-beta-D-ribofuranosyl-, 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 3-beta-D-ribofuranosylorotic acid, 3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2,6-dioxopyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-ss-D-ribofuranosyl-, Orotidine (6CI,7CI,8CI), 1,2,3,6-Tetrahydro-2,6-dioxo-3-ss-D-ribofuranosyl-4-pyrimidinecarboxylic acid, 6-Carboxyuridine, Orotic acid riboside, MFCD00057418, 3-Ribofuranosylorotate, SCHEMBL20894, Orotidine, >=90% (HPLC), DTXSID90953435, NO08048, AS-79205, HY-113226, CS-0059354, NS00015155, F82233, Q10859719, 6-Hydroxy-2-oxo-3-pentofuranosyl-2,3-dihydropyrimidine-4-carboxylic acid, 1,2,3,6-Tetrahydro-2,6-dioxo-3-beta-D-ribofuranosyl-4-pyrimidinecarboxylic acid, 6-Carboxyuridine, 3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC(C2CCCC2)C(C)C1 |
| Np Classifier Class | Pyrimidine nucleos(t)ides |
| Deep Smiles | OC[C@H]O[C@H][C@@H][C@@H]5O))O))nc=O)[nH]c=O)cc6C=O)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Pyrimidine nucleosides |
| Scaffold Graph Node Level | OC1CCN(C2CCCO2)C(O)N1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid |
| Class | Pyrimidine nucleosides |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -2.6 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12N2O8 |
| Scaffold Graph Node Bond Level | O=c1ccn(C2CCCO2)c(=O)[nH]1 |
| Inchi Key | FKCRAVPPBFWEJD-XVFCMESISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 3-Ribofuranosylorotic acid, 6-Carboxyuridine, 3-Ribofuranosylorotate, Orotic acid riboside, Orotidine, ammonium salt, orotidine |
| Esol Class | Very soluble |
| Functional Groups | CO, COC, c=O, cC(=O)O, c[nH]c, cn(c)C |
| Compound Name | Orotidine |
| Kingdom | Organic compounds |
| Exact Mass | 288.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.059 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 288.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1 |
| Smiles | C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Pyrimidine nucleosides |
| Np Classifier Superclass | Nucleosides |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729