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73073-46-8 | 1-Dodecylpropanediol-3-phosphocholine
CAS No: 73073-46-8 Catalog No: AG005CJ3 MDL No:
Product Description
Catalog Number:
AG005CJ3
Chemical Name:
1-Dodecylpropanediol-3-phosphocholine
CAS Number:
73073-46-8
Molecular Formula:
C20H44NO6P
Molecular Weight:
425.5402
IUPAC Name:
(3-dodecoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C20H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-16-25-18-20(22)19-27-28(23,24)26-17-15-21(2,3)4/h20,22H,5-19H2,1-4H3
InChI Key:
URUYDXJUCOUNCY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)[O-])O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.291g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.547g/mol
Monoisotopic Mass:
425.291g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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