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208539-93-9 | Glycerides, canola-oil mono- and di-, reaction products with phosphorus oxide (P2O5), sodium salts
CAS No: 208539-93-9 Catalog No: AG002JQU MDL No:
Product Description
Catalog Number:
AG002JQU
Chemical Name:
Glycerides, canola-oil mono- and di-, reaction products with phosphorus oxide (P2O5), sodium salts
CAS Number:
208539-93-9
Molecular Formula:
C21H41Na2O7P
Molecular Weight:
482.4993
IUPAC Name:
disodium;2,3-dihydroxypropyl octadec-9-enoate;dioxido(oxo)phosphanium
InChI:
InChI=1S/C21H40O4.2Na.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;;;1-4(2)3/h9-10,20,22-23H,2-8,11-19H2,1H3;;;(H,1,2,3)/q;2*+1;/p-1
InChI Key:
IWKSRYMZIVKGAQ-UHFFFAOYSA-M
SMILES:
[O-]P(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O.[Na+].[Na+]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.231g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
481.497g/mol
Monoisotopic Mass:
481.231g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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