3,5,9-Trioxa-4-phosphatricosan-1,1,2,2-d4-1-aminium, 4-hydroxy-N,N,N-tri(methyl-d3)-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)-
CAS Registry Number®
326495-28-7
CAS Name
3,5,9-Trioxa-4-phosphatricosan-1,1,2,2-d4-1-aminium, 4-hydroxy-N,N,N-tri(methyl-d3)-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)-Molecular Formula
C36H59D13NO8PCite this Page
3,5,9-Trioxa-4-phosphatricosan-1,1,2,2-d4-1-aminium, 4-hydroxy-N,N,N-tri(methyl-d3)-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=326495-28-7 (retrieved ) (CAS RN: 326495-28-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1/i3D3,4D3,5D3,30D2,31D2
InChIKey
InChIKey=CITHEXJVPOWHKC-ABPAQVLFSA-N
SMILES
[C@H](OC(CCCCCCCCCCCCC)=O)(COP(OC(C([N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])([2H])[2H])(=O)[O-])COC(CCCCCCCCCCCCC)=O
Canonical SMILES
O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC
Other Names for this Substance
- 3,5,9-Trioxa-4-phosphatricosan-1,1,2,2-d4-1-aminium, 4-hydroxy-N,N,N-tri(methyl-d3)-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)-
