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102674-12-4 | 4,8,10,12-Octadecatetraenedioic acid, 7,14-dihydroxy-, (4Z,7R,8E,10E,12Z,14S)-
CAS No: 102674-12-4 Catalog No: AG000830 MDL No:MFCD00065856
Product Description
Catalog Number:
AG000830
Chemical Name:
4,8,10,12-Octadecatetraenedioic acid, 7,14-dihydroxy-, (4Z,7R,8E,10E,12Z,14S)-
CAS Number:
102674-12-4
Molecular Formula:
C18H26O6
Molecular Weight:
338.3954
MDL Number:
MFCD00065856
IUPAC Name:
(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
InChI:
InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m0/s1
InChI Key:
XWRIIHRGMKHPHN-USRRKILKSA-N
SMILES:
O[C@H](C/C=C\CCC(=O)O)/C=C/C=C/C=C\[C@H](CCCC(=O)O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
4
Exact Mass:
338.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.4g/mol
Monoisotopic Mass:
338.173g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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