(4S)-OH-atRA

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 126843444
Molecular Formula

C20H27O3-

SMILES

CC1=C(C(CC[C@@H]1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C

InChI

InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13+/t18-/m0/s1

synonyms
  • (4S)-OH-atRA
  • all-trans-(4S)-hydroxyretinoate
  • (S)-all-trans-4-hydroxyretinoate
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Properties
Property Value
MW 315.4 g/mol
HBD 1
HBA 3
Rotatable Bond Count 4
Exact Mass 315.19601972 g/mol
Monoisotopic Mass 315.19601972 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 593
xlogp 5.1
Topological Polar Surface Area 60.4