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201738-24-1 | Phosphoric acid, mono(2,3-dihydroxypropyl) mono[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester
CAS No: 201738-24-1 Catalog No: AG0027SR MDL No:MFCD11976894
Product Description
Catalog Number:
AG0027SR
Chemical Name:
Phosphoric acid, mono(2,3-dihydroxypropyl) mono[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester
CAS Number:
201738-24-1
Molecular Formula:
C23H45NO7P-
Molecular Weight:
478.5797
MDL Number:
MFCD11976894
IUPAC Name:
2,3-dihydroxypropyl 2-(octadec-9-enoylamino)ethyl hydrogen phosphate
InChI:
InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-18-19-30-32(28,29)31-21-22(26)20-25/h9-10,22,25-26H,2-8,11-21H2,1H3,(H,24,27)(H,28,29)
InChI Key:
VBNXVCGZJCGEKO-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(OCC(CO)O)[O-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.301g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
479.595g/mol
Monoisotopic Mass:
479.301g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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