Cas no 191986-06-8 (1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)-)
191986-06-8 structure
Product Name:1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)-
CAS No:191986-06-8
MF:C18H39NO3
MW:317.507166147232
CID:1385460
PubChem ID:10892490
Update Time:2025-04-20
1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)-
- (2R,3R,4R)-2-aminooctadecane-1,3,4-triol
- 191986-06-8
- DTXSID10447442
-
- Inchi： 1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18-/m1/s1
- InChI Key： AERBNCYCJBRYDG-KZNAEPCWSA-N
- SMILES： O[C@@H]([C@@H]([C@@H](CO)N)O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 317.29317
- Monoisotopic Mass: 317.29299411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.71
1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
191986-06-8 (1,3,4-Octadecanetriol, 2-amino-, (2R,3R,4R)-) Related Products
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