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124629-74-9 | 6,8,10,14-Eicosatetraenoic-6,7,14,15-d4 acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS No: 124629-74-9 Catalog No: AG000MIA MDL No:
Product Description
Catalog Number:
AG000MIA
Chemical Name:
6,8,10,14-Eicosatetraenoic-6,7,14,15-d4 acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS Number:
124629-74-9
Molecular Formula:
C20H28D4O4
Molecular Weight:
340.4903
IUPAC Name:
(5S,12R)-6,7,14,15-tetradeuterio-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/t18-,19-/m1/s1/i6D,9D,11D,15D
InChI Key:
VNYSSYRCGWBHLG-GUPZGNSISA-N
SMILES:
CCCCC/C(=C(\C[C@H](/C=C/C=C/C(=C(\[C@H](CCCC(=O)O)O)/[2H])/[2H])O)/[2H])/[2H]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
340.255g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
4
Molecular Weight:
340.496g/mol
Monoisotopic Mass:
340.255g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
4.1
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