astaxanthine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 532
Total Number of Articles : 430
PubChem 5281224
Molecular Formula

C40H52O4

SMILES

CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C

InChI

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

synonyms
  • Astaxanthin
  • 472-61-7
  • Ovoester
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Properties
Property Value
MW 596.8 g/mol
HBD 2
HBA 4
Rotatable Bond Count 10
Exact Mass 596.38656014 g/mol
Monoisotopic Mass 596.38656014 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1340
xlogp 10.3
Topological Polar Surface Area 74.6