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Ellagic acid (dihydrate)

CAT: 0804-HY-B0183B-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0183B-01Size:100 mg
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Description
Ellagic acid dihydrate is a polyphenolic compound commonly found in various fruits and vegetables such as pomegranates, strawberries and raspberries. Ellagic acid dihydrate has unique chemical properties that make it an important antioxidant and anti-inflammatory agent that inhibits cancer, cardiovascular disease and other chronic diseases. It is also used as a food preservative because of its ability to inhibit the growth of bacteria and fungi.
CAS Number
133039-73-3
UNSPSC
12352200
Hazard Statement
H315, H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ellagic-acid-dihydrate.html
Purity
98.42
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC(O)=C(O)C(O3)=C2C4=C(C3=O)C=C(O)C(O)=C4O1.O.O
Molecular Formula
C14H10O10
Molecular Weight
338.22
Precautions
H315, H319
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Ellagic acid dihydrate
CAS Number133039-73-3
PubChem CID16760409
IUPAC Name6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione;dihydrate
Molecular FormulaC14H10O10
Molecular Weight338.22
Topological Polar Surface Area136
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity475
SMILES
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O.O.O
InChI
InChI=1S/C14H6O8.2H2O/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19;;/h1-2,15-18H;2*1H2
InChIKey
ZEPCRIPMALGRJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ellagic acid dihydrate
CAS: 133039-73-3
CID: 16760409
Formula: C14H10O10
MW: 338.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.22
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass338.02739651
Monoisotopic Mass338.02739651
Topological Polar Surface Area136 Ų
Heavy Atom Count24
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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MBS3617135-01Ellagic Acid Dihydrate
sc-202598BEllagic Acid, Dihydrate
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