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13094-04-7 | 9-Octadecenoic acid, 12-hydroxy-, lead(2+) salt (2:1), (9Z,12R)-
CAS No: 13094-04-7 Catalog No: AG000V58 MDL No:
Product Description
Catalog Number:
AG000V58
Chemical Name:
9-Octadecenoic acid, 12-hydroxy-, lead(2+) salt (2:1), (9Z,12R)-
CAS Number:
13094-04-7
Molecular Formula:
C36H66O6Pb
Molecular Weight:
802.1056
IUPAC Name:
(Z,12R)-12-hydroxyoctadec-9-enoate;lead(2+)
InChI:
InChI=1S/2C18H34O3.Pb/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9-;/t2*17-;/m11./s1
InChI Key:
HMUKHFHDSCUVNB-GNNYBVKZSA-L
SMILES:
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O.CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O.[Pb+2]
EC Number:
236-010-9
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
2
Exact Mass:
802.463g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
802.118g/mol
Monoisotopic Mass:
802.463g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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