3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-
CAS Registry Number®
103067-81-8
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CAS Name
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-Molecular Formula
C48H100NO6PCite this Page
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=103067-81-8 (retrieved ) (CAS RN: 103067-81-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C48H100NO6P/c1-40(2)20-14-22-42(5)24-16-26-44(7)28-18-30-46(9)32-35-52-38-48(39-55-56(50,51)54-37-34-49(11,12)13)53-36-33-47(10)31-19-29-45(8)27-17-25-43(6)23-15-21-41(3)4/h40-48H,14-39H2,1-13H3/t42-,43-,44-,45-,46-,47-,48+/m1/s1
InChIKey
InChIKey=NMRGXROOSPKRTL-WGHIVVPPSA-N
SMILES
[C@@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)(COP(OCC[N+](C)(C)C)(=O)[O-])COCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Canonical SMILES
O=P([O-])(OCC[N+](C)(C)C)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Other Names for this Substance
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[(3,7,11,15-tetramethylhexadecyl)oxy]-, inner salt, 4-oxide, [7S-[7R*(3S*,7S*,11S*),12S*,16S*,20S*]]-