Indicaxanthin

CAT: 1596-AR-I03529-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03529-02Size:25 Units

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CAS Number

2181-75-1

Molecular Formula

C14H16N2O6

Molecular Weight

308.29

API Name

Indicaxanthin

Chemical Information

Indicaxanthin

Indicaxanthin is a non-proteinogenic alpha-amino acid.

CAS Number	2181-75-1
PubChem CID	6096870
IUPAC Name	(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]pyrrolidin-1-ium-2-carboxylate
Molecular Formula	C14H16N2O6
Molecular Weight	308.29
XLogP	0.4
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	599

SMILES

C1C[C@H]([N+](=C/C=C/2\C[C@H](NC(=C2)C(=O)O)C(=O)O)C1)C(=O)[O-]

InChI

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,(H3,17,18,19,20,21,22)/t10-,11-/m0/s1

InChIKey

RJIIQBYZGJSODH-QWRGUYRKSA-N

Chemical Structure

2D Structure

CAS: 2181-75-1

CID: 6096870

Formula: C14H16N2O6

MW: 308.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.29
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	308.10083623
Monoisotopic Mass	308.10083623
Topological Polar Surface Area	130 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	599
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-W747992	Indicaxanthin
452314-01	Indicaxanthin discontinued