Cas no 71772-51-5 (Meso-astaxanthin)

Meso-astaxanthin structure
Meso-astaxanthin structure
Product Name:Meso-astaxanthin
CAS No:71772-51-5
MF:C40H52O4
MW:596.838492393494
CID:548440
Update Time:2024-03-01

Meso-astaxanthin Chemical and Physical Properties

Names and Identifiers

    • b,b-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3R,3'S)-
    • (3R,3)-all-trans-Astaxanthin
    • (3R,3'S)-all-trans-Astaxanthin
    • (3R,3'S)-Astaxanthin
    • (3S,3'R)-4-Ketozeaxanthin
    • meso-Astaxanthin
    • trans-(3R,3'S)-Astaxanthin
    • meso-Astaxanthin/ (3S,3'R)-Astaxanthin
    • 8678E0R020
    • Astaxanthin, meso-
    • 3R,3'S-astaxanthin
    • MQZIGYBFDRPAKN-GNBIBNSWSA-N
    • LMPR01070020
    • Q27269707
    • beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3R,3'S)-
    • Meso-astaxanthin
    • 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+
    • InChI Key: MQZIGYBFDRPAKN-GNBIBNSWSA-N
    • SMILES: O[C@@H]1C(C(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C([C@@H](CC2(C)C)O)=O)/C)/C)C(C)(C)C1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 10
  • Complexity: 1340
  • Topological Polar Surface Area: 74.6
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