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83861-61-4 | 6,8,10,14-Heneicosatetraenedioicacid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS No: 83861-61-4 Catalog No: AG004VVY MDL No:
Product Description
Catalog Number:
AG004VVY
Chemical Name:
6,8,10,14-Heneicosatetraenedioicacid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS Number:
83861-61-4
Molecular Formula:
C21H32O6
Molecular Weight:
380.4752
IUPAC Name:
(5S,12R)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
InChI:
InChI=1S/C21H32O6/c22-18(12-7-3-1-2-4-10-16-20(24)25)13-8-5-6-9-14-19(23)15-11-17-21(26)27/h3,5-9,13-14,18-19,22-23H,1-2,4,10-12,15-17H2,(H,24,25)(H,26,27)/t18-,19-/m1/s1
InChI Key:
OWRZLPFARZIZOG-RTBURBONSA-N
SMILES:
OC(=O)CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
380.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
380.481g/mol
Monoisotopic Mass:
380.22g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
2.9
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