Sodium Caprylate
PubChem CID: 23664772
Connections displayed (default: 10).
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| Compound Synonyms | SODIUM OCTANOATE, Sodium caprylate, 1984-06-1, Octanoic acid, sodium salt, Sodium n-octanoate, Caprylic acid sodium salt, Sodium octoate, sodium, octanoate, Natrium octanoat, Octanoic acid, sodium salt (1:1), 9XTM81VK2B, MFCD00058511, Octanoicacidsodiumsalt, HSDB 5862, EINECS 217-850-5, UNII-9XTM81VK2B, AI3-50473, DTXSID3027451, CHEBI:132100, Sodium caprylate (NF), Sodium caprylate [NF], 3106-28-3, SODIUM OCTANOATE (MART.), SODIUM OCTANOATE [MART.], SODIUM CAPRYLATE (EP IMPURITY), SODIUM CAPRYLATE [EP IMPURITY], SODIUM CAPRYLATE (EP MONOGRAPH), SODIUM CAPRYLATE [EP MONOGRAPH], Ice Block, starbld0016508, Sodium octanoate, 96%, n-Octanoic Acid Sodium Salt, SCHEMBL56211, CHEMBL557076, DTXCID407451, SODIUM CAPRYLATE [HSDB], SODIUM CAPRYLATE [WHO-DD], AKOS015901906, CS-W016055, FC46945, HY-W015339, AS-17478, Sodium caprylate, Octanoic acid sodium salt, NS00082151, O0034, D08999, Q25473932, Caprylic acid sodium salt, Octanoic acid sodium salt, Sodium caprylate, 217-850-5 |
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| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | It is used in foods as a binder, emulsifier and anticaking agent. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, octanoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C8H15NaO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BYKRNSHANADUFY-UHFFFAOYSA-M |
| Fcsp3 | 0.875 |
| Logs | -0.788 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.525 |
| Synonyms | Sodium caprylate, Sodium octanoate |
| Compound Name | Sodium Caprylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.097 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.19 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10, /h2-7H2,1H3,(H,9,10), /q, +1/p-1 |
| Smiles | CCCCCCCC(=O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all