Vaccarin | CAS No. 53452-16-7

Vaccarin

Basic Information

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CAS Number

53452-16-7

Molecular Formula

C32H38O19

Molecular Weight

726.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Yellow powder

Density

1.82

Solubility

Methanol; Ethanol; Water; DMSO

SMILES

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O=C1C=C(C2=CC=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2)OC4=C1C(O)=C([C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)CO6)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(O)=C4

InChI

InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1

InChIKey

GYIKGLVKALOGDP-HLEFUGOVSA-N

LogP

-3.971899999999999

Topological Polar Surface Area

319.12 Å²

Hydrogen Bond Donor/Acceptor

12 / 19

Complexity

1220

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Vaccarin
Apigenin 4′-O-glucoside 6-C-(2-arabinosylglucoside)
6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
N2186
6-[(3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-

MDL Number

MFCD20487836

FAQ

What are the physical and chemical properties of Vaccarin (CAS: 53452-16-7)?

Vaccarin (CAS: 53452-16-7) is a crystalline compound with a molecular weight of approximately 334.26 g/mol. It is sparingly soluble in water and has good solubility in organic solvents like methanol and ethanol. Chemically, it is moderately reactive, particularly with bases and oxidizing agents. It is stable under normal laboratory conditions but should be stored in a cool, dark place to avoid degradation.

How is Vaccarin (CAS: 53452-16-7) typically synthesized?

Vaccarin (CAS: 53452-16-7) can be synthesized through a series of reactions starting from flavones. Common methods include the reduction of flavone oxides using sodium borohydride or lithium aluminum hydride as catalysts. The synthesis typically involves a good yield and high selectivity towards the desired product, making it a feasible route for commercial production.

What industries use Vaccarin (CAS: 53452-16-7)?

Vaccarin (CAS: 53452-16-7) is primarily used in the pharmaceutical and food industries. It has anti-inflammatory and antioxidant properties, making it a valuable component in dietary supplements and functional foods. Additionally, it is used as a natural colorant in cosmetics and as a flavor enhancer in food products.

What precautions should be taken when handling Vaccarin (CAS: 53452-16-7)?

When handling Vaccarin (CAS: 53452-16-7), it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. In case of a spill, immediately clean up with appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.