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Home > Fluorides > 138898-69-8
138898-69-8 | 9-Octadecenoic acid, 1-(9,9,9-trifluoro-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphanon-1-yl)-1,2-ethanediyl ester (9CI)
CAS No: 138898-69-8 Catalog No: AG0019RN MDL No:
Product Description
Catalog Number:
AG0019RN
Chemical Name:
9-Octadecenoic acid, 1-(9,9,9-trifluoro-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphanon-1-yl)-1,2-ethanediyl ester (9CI)
CAS Number:
138898-69-8
IUPAC Name:
[3-[hydroxy-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate
InChI:
InChI=1S/C43H77F3NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(48)53-37-39(38-55-57(51,52)54-36-35-47-42(50)43(44,45)46)56-41(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,47,50)(H,51,52)
InChI Key:
BUKHLBMFBOGEPV-UHFFFAOYSA-N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
839.529g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
840.056g/mol
Monoisotopic Mass:
839.529g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
14.2
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