Cas no 651023-22-2 (Octadecanamide, N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyl-)
651023-22-2 structure
Product Name:Octadecanamide, N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyl-
CAS No:651023-22-2
MF:C39H79NO5
MW:642.048273324966
CID:407842
PubChem ID:10326814
Update Time:2025-04-19
Octadecanamide, N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanamide, N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyl-
- N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyloctadecanamide
- 651023-22-2
- DTXSID60438087
-
- Inchi： 1S/C39H79NO5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-25-29-33-40(34-36(42)35-41)39(45)32-28-24-21-23-27-31-38(44)37(43)30-26-22-10-8-6-4-2/h36-38,41-44H,3-35H2,1-2H3
- InChI Key： XBQZQWIQTSFBNY-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCC(N(CC(CO)O)CCCCCCCCCCCCCCCCCC)=O)C(CCCCCCCC)O
Computed Properties
- Exact Mass: 641.59617
- Monoisotopic Mass: 641.59582462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 45
- Rotatable Bond Count: 36
- Complexity: 604
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.6
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.23
Octadecanamide, N-(2,3-dihydroxypropyl)-9,10-dihydroxy-N-octadecyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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