Cas no 13053-57-1 (3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI))
13053-57-1 structure
Product Name:3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI)
CAS No:13053-57-1
MF:C39H79N2O6P
MW:703.028133630753
CID:119238
Update Time:2024-01-24
3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI)
- N-PALMITOYL-D-SPHINGOMYELIN
- 3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,...
- 3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt
- N-HEXADECANOYL-D-SPHINGOSINE-1-PHOSPHOCHOLINE
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- Inchi: 1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38?/m1/s1
- InChI Key: RWKUXQNLWDTSLO-BKDSLGOJSA-N
- SMILES: [C@H](C(O)/C=C/CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 702.56797
Experimental Properties
- PSA: 107.92
3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI) Security Information
- WGK Germany:3
- Storage Condition:?20°C
3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1S,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7R)- (9CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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