Cas no 2181-75-1 (Indicaxanthin)

Indicaxanthin structure
Indicaxanthin structure
Product Name:Indicaxanthin
CAS No:2181-75-1
MF:C14H16N2O6
MW:308.286643981934
CID:1404110
PubChem ID:131876094
Update Time:2025-04-20

Indicaxanthin Chemical and Physical Properties

Names and Identifiers

    • (1Z,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}pyrrolidinium-2-carboxylate
    • DTXSID80944418
    • C08549
    • 2181-75-1
    • SCHEMBL288232
    • Q3150365
    • (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]pyrrolidin-1-ium-2-carboxylate
    • CHEBI:5896
    • Indicaxanthin
    • CHEMBL4453776
    • (1Z,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-2-pyrrolidinium carboxylate (Indicaxanthin)
    • AC1O1I0D
    • 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate
    • Inchi: 1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H,17,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1
    • InChI Key: CCXPAUKIWRMEET-QWRGUYRKSA-N
    • SMILES: OC([C@@H]1CCCN1C=CC1=CC(C(=O)O)=N[C@H](C(=O)O)C1)=O

Computed Properties

  • Exact Mass: 308.10088
  • Monoisotopic Mass: 308.10083623g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 592
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 0.2
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • PSA: 129.77

Indicaxanthin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I521110-1mg
Indicaxanthin
2181-75-1
1mg
$471.00 2023-05-18
TRC
I521110-2.5mg
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2.5mg
$2044.00 2023-05-18
TRC
I521110-5mg
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5mg
$2055.00 2023-05-18
TRC
I521110-10mg
Indicaxanthin
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10mg
$3709.00 2023-05-18

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