Basic information
- CAS
2181-75-1- Standard SMILES
O=C(O)C1=CC(=CC=[N+]2CCCC2C(=O)[O-])CC(C(=O)O)N1- InChIKey
RJIIQBYZGJSODH-UHFFFAOYSA-N- Molecular formula
- C14H16N2O6
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.10083623
Names & identifiers
- Preferred name
- 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate
- IUPAC
- 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate
- English name
- INDICAXANTHIN
- Molecular formula
- C14H16N2O6
- Molecular weight
- 308.29
Names & synonyms
1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylateCAA18175INDICAXANTHIN(2S)-2,3-Dihydro-4-[2-[(2S)-2α-carboxypyrrolidin-1-yl]ethenyl]pyridine-2α,6-dicarboxylic acid2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-1-pyrrolidinyl]ethenyl]-2,3-dihydro-, (2S)-
Database identifiers
- CAS
2181-75-1- PubChem CID
- 4480892
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 599
Experimental & physicochemical properties
Melting Point160 - 162 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 160 · 160-162 °C (decomp)
- Boiling point
- 629.7 · 629.7±65.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- -2.26 · -2.26±0.40(Predicted)
- FDA UNII
- 2 R4J4M5NH · J2R4J4M5NH
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesIndicaxanthin is a betaxanthin and a pigment from Opuntia ficus-indica cactus fruits.
Suppliers1 total
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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