Cas no 18417-00-0 (Octadecanoic acid,12-hydroxy-, (12S)-)
18417-00-0 structure
Product Name:Octadecanoic acid,12-hydroxy-, (12S)-
CAS No:18417-00-0
MF:C18H36O3
MW:300.47664642334
CID:226719
PubChem ID:23616451
Update Time:2025-04-19
Octadecanoic acid,12-hydroxy-, (12S)- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,12-hydroxy-, (12S)-
- (S)-12-Hydroxyoctadecanoic acid
- Einecs 242-295-0
- [S,(+)]-12-Hydroxystearic acid
- SCHEMBL1233012
- DTXSID001298610
- (12S)-12-HYDROXYOCTADECANOIC ACID
- 18417-00-0
- NS00085356
-
- Inchi： 1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
- InChI Key： ULQISTXYYBZJSJ-KRWDZBQOSA-N
- SMILES： O[C@@H](CCCCCC)CCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 300.26658
- Monoisotopic Mass: 300.26644501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Octadecanoic acid,12-hydroxy-, (12S)- Related Literature
-
Sonja Dieterich,Sylvain Prévost,Carina Dargel,Thomas Sottmann,Frank Giesselmann Soft Matter 2020 16 10268
-
Dan Liu,Shanshan Dai,Li Wang,Ya Liu,Hongsheng Lu New J. Chem. 2021 45 7210
18417-00-0 (Octadecanoic acid,12-hydroxy-, (12S)-) Related Products
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