Cas no 134102-05-9 (4-Octadecene-3-t-1,3-diol,2-amino-, (2S,3R,4E)- (9CI))
134102-05-9 structure
Product Name:4-Octadecene-3-t-1,3-diol,2-amino-, (2S,3R,4E)- (9CI)
CAS No:134102-05-9
MF:C18H37NO2
MW:301.499995231628
CID:138866
Update Time:2024-01-25
4-Octadecene-3-t-1,3-diol,2-amino-, (2S,3R,4E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Octadecene-3-t-1,3-diol,2-amino-, (2S,3R,4E)- (9CI)
- D(+) ERYTHRO-2-AMINO-4-TRANS-OCTADECENE-1,3-DIOL [3-3H]
- D-ERYTHRO-SPHINGOSINE-[3-3H]
- SPHINGOSINE, D-ERYTHRO-, [3-3H]
-
- Inchi： 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1/i18T
- InChI Key： WWUZIQQURGPMPG-VUJAJGHUSA-N
- SMILES： C(/[C@@]([3H])(O)[C@@H](N)CO)=C\CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 301.291
- Monoisotopic Mass: 301.291
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.5A^2
Experimental Properties
- PSA: 66.48000
- LogP: 4.62450
4-Octadecene-3-t-1,3-diol,2-amino-, (2S,3R,4E)- (9CI) Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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