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Home > Imidazoles > 68938-78-3
68938-78-3 | (Z)-1-(4,5-Dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)octadec-9-en-1-one phosphate
CAS No: 68938-78-3 Catalog No: AG00608D MDL No:
Product Description
Catalog Number:
AG00608D
Chemical Name:
(Z)-1-(4,5-Dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)octadec-9-en-1-one phosphate
CAS Number:
68938-78-3
Molecular Formula:
C23H45N2O6P
Molecular Weight:
476.5870
IUPAC Name:
1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]octadec-9-en-1-one;phosphoric acid
InChI:
InChI=1S/C23H42N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)23-24-18-19-25(23)20-21-26;1-5(2,3)4/h9-10,26H,2-8,11-21H2,1H3;(H3,1,2,3,4)
InChI Key:
BBPOSHDMAXJRFI-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCC/C=C\CCCCCCCC(=O)C1=NCCN1CCO
EC Number:
273-144-7
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.302g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
476.595g/mol
Monoisotopic Mass:
476.302g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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