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137566-83-7 | 7,9,13-Trioxa-8-phosphanonacosan-1-aminium, 11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-
CAS No: 137566-83-7 Catalog No: AG0013KJ MDL No:MFCD00077384
Product Description
Catalog Number:
AG0013KJ
Chemical Name:
7,9,13-Trioxa-8-phosphanonacosan-1-aminium, 11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-
CAS Number:
137566-83-7
Molecular Formula:
C30H62NO7P
Molecular Weight:
579.7895
MDL Number:
MFCD00077384
IUPAC Name:
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 6-(trimethylazaniumyl)hexyl phosphate
InChI:
InChI=1S/C30H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-35-27-30(38-29(2)32)28-37-39(33,34)36-26-23-20-18-21-24-31(3,4)5/h30H,6-28H2,1-5H3/t30-/m1/s1
InChI Key:
IJAODKNFSHBTDQ-SSEXGKCCSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCCCCCC[N+](C)(C)C)[O-]
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
579.426g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.8g/mol
Monoisotopic Mass:
579.426g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Literature
| Title | Journal |
|---|---|
| Microglial calcium responses to platelet-activating factor are inhibited by analogue CAS 99103-16-9 and dihydropyridine PCA 4248 but not by ginkgolide A. | Basic & clinical pharmacology & toxicology 20040801 |
| Efficacy of anticancer alkylphosphocholines in Trypanosoma brucei subspecies. | Acta tropica 19970415 |
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