Calcium Maleate
PubChem CID: 6916005
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| Compound Synonyms | Calcium Maleate, maleic acid, calcium salt, 34938-90-4, calcium, (Z)-but-2-enedioate, 2-Butenedioic acid (Z)-, calcium salt, SCHEMBL372273, HDRTWMBOUSPQON-ODZAUARKSA-L, AKOS015914145 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | [O-]C=O)/C=CC=O)[O-].[Ca+2] |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Nutrient supplement Calcium fumarate is a compound with formula Ca(C2H2(COO)2). It is the calcium salt of fumaric acid. |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | calcium, (Z)-but-2-enedioate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Superclass | Organic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H2CaO4 |
| Inchi Key | HDRTWMBOUSPQON-ODZAUARKSA-L |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-Butenedioic acid (E)-, calcium salt, Calcium 2-butenedioate, (E)-, Calcium fumarate, Fumaric acid, calcium salt, Calcium maleic acid, Maleate, Maleic acid, calcium salt, Maleic acid, monoammonium salt, Maleic acid, monosodium salt, Maleic acid, dipotassium salt, Maleic acid, disodium salt, Maleic acid, iron salt, Maleic acid, neodymium salt, Hydrogen maleate, Maleic acid, monocopper (2+) salt, Maleic acid, potassium salt, Maleic acid, sodium salt, Sodium maleate, Maleic acid, Maleic acid, ammonium salt, Calcium fumaric acid, calcium-maleate |
| Esol Class | Very soluble |
| Functional Groups | O=C([O-])/C=CC(=O)[O-], [Ca+2] |
| Compound Name | Calcium Maleate |
| Kingdom | Organic compounds |
| Exact Mass | 153.958 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.958 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 154.13 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8, /h1-2H,(H,5,6)(H,7,8), /q, +2/p-2/b2-1-, |
| Smiles | C(=C\C(=O)[O-])\C(=O)[O-].[Ca+2] |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Rumex Crispus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279