9,10,16-Trihydroxyhexadecanoic acid
PubChem CID: 10790
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Aleuritic acid, 9,10,16-Trihydroxyhexadecanoic acid, 6949-98-0, ALEURETIC ACID, HEXADECANOIC ACID, 9,10,16-TRIHYDROXY-, DTXSID90862139, 9,10,16-trihydroxy palmitic acid, 9,10,16-trihydroxy-hexadecanoic acid, 9,10,16-Trihydroxypalmitic acid, DL-erythro-9,10,16-Trihydroxyhexadecanoic acid, .alpha.-Aleuritic acid, 18951-77-4, (+/-)-erythro-Aleuritic acid, alpha-Aleuritic acid, beta-Aleuritic acid, (.+/-.)-Aleuritic acid, SCHEMBL284714, DTXCID80810947, CHEBI:177476, HY-N7076, NSC25150, 9,10,16-Trihydroxyhexadecanoicacid, BBL033550, LMFA01050101, STL372740, AKOS025247945, CCG-214261, CS-W012097, HY-W992515, 9,10,16-Trihydroxyhexadecanoic acid #, VS-12140, NS00013349, Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(.+/-.)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCC=O)O)))))))))O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10,16-trihydroxyhexadecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H32O5 |
| Inchi Key | MEHUJCGAYMDLEL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | aleurilic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 9,10,16-Trihydroxyhexadecanoic acid |
| Exact Mass | 304.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.42 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21) |
| Smiles | C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Butea Monosperma (Plant) Rel Props:Reference:ISBN:9788171360536