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85154-12-7 | DIMETHYLBIS[2-[(1-OXOOCTADECYL)OXY]ETHYL]AMMONIUM METHYL PHOSPHONATE
CAS No: 85154-12-7 Catalog No: AG004MZ8 MDL No:
Product Description
Catalog Number:
AG004MZ8
Chemical Name:
DIMETHYLBIS[2-[(1-OXOOCTADECYL)OXY]ETHYL]AMMONIUM METHYL PHOSPHONATE
CAS Number:
85154-12-7
Molecular Formula:
C43H88NO7P
Molecular Weight:
762.1351
IUPAC Name:
dimethyl-bis(2-octadecanoyloxyethyl)azanium;methyl-dioxido-oxo-λ5-phosphane
InChI:
InChI=1S/2C42H84NO4.CH5O3P/c2*1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5(2,3)4/h2*5-40H2,1-4H3;1H3,(H2,2,3,4)/q2*+1;/p-2
InChI Key:
KWVJAYNFXRQNGL-UHFFFAOYSA-L
SMILES:
COP(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C
EC Number:
285-894-2
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1427.262g/mol
Formal Charge:
0
Heavy Atom Count:
99
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1428.28g/mol
Monoisotopic Mass:
1427.262g/mol
Rotatable Bond Count:
80
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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