Cas no 30742-88-2 (10,13-Dihydroxyoctadecanoic acid)
30742-88-2 structure
Product Name:10,13-Dihydroxyoctadecanoic acid
CAS No:30742-88-2
MF:C18H36O4
MW:316.476046562195
CID:2821393
PubChem ID:57471641
Update Time:2025-04-21
10,13-Dihydroxyoctadecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 10,13-DIHYDROXYOCTADECANOIC ACID
- 10,13-OH 18:0
- CHEBI:195339
- 10,13-Dihydroxystearic acid
- 10,13-DHSA
- 10,13-Dihydroxyoctadecansaure
- 30742-88-2
- SCHEMBL17133174
- DTXSID50726809
- 10,13-Dihydroxyoctadecanoic acid
-
- Inchi： 1S/C18H36O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
- InChI Key： NMQSHRONGDFSQZ-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCC(=O)O)CCC(CCCCC)O
Computed Properties
- Exact Mass: 316.26135963Da
- Monoisotopic Mass: 316.26135963Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 77.8?2
10,13-Dihydroxyoctadecanoic acid Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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