chempirical

Lithium orotate

C5H3LiN2O4CAS 5266-20-6162.03 g/mol

Open in Covalent MOL file
O−OOHNOHNLi+
Carboxylic acidPhenol

Properties

Molecular formula
C5H3LiN2O4
Molar mass
162.03 g/mol
Exact mass
162.0253 Da
logP
-0.79Crippen estimate
Polar surface area
103.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
5266-20-6
SMILES
[O-]C(=O)c1cc(O)nc(O)n1.[Li+]
InChIKey
POKCCNJJWJULFJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, lithium salt (1:1)
  • Orotic acid, monolithium salt
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monolithium salt

Work with Lithium orotate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Potassium orotate24598-73-082 % similar Magnesium orotate34717-03-860 % similar 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1)68399-76-856 % similar Orotic acid65-86-156 % similar Orotic acid monohydrate50887-69-951 % similar Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-250 % similar L-Carnitine orotate160468-17-739 % similar 6-Chlorouracil4270-27-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook