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132367-95-4 | Butanedioic acid, 2,3-bis[(3,4-dihydroxyphenyl)methylene]-
CAS No: 132367-95-4 Catalog No: AG0010L1 MDL No:
Product Description
Catalog Number:
AG0010L1
Chemical Name:
Butanedioic acid, 2,3-bis[(3,4-dihydroxyphenyl)methylene]-
CAS Number:
132367-95-4
Molecular Formula:
C18H14O8
Molecular Weight:
358.2990
IUPAC Name:
2,3-bis[(3,4-dihydroxyphenyl)methylidene]butanedioic acid
InChI:
InChI=1S/C18H14O8/c19-13-3-1-9(7-15(13)21)5-11(17(23)24)12(18(25)26)6-10-2-4-14(20)16(22)8-10/h1-8,19-22H,(H,23,24)(H,25,26)
InChI Key:
GCLKVDNBAFNKAL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1ccc(c(c1)O)O)C(=Cc1ccc(c(c1)O)O)C(=O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
358.302g/mol
Monoisotopic Mass:
358.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Anti-HIV activities of natural antioxidant caffeic acid derivatives: toward an antiviral supplementation diet. | Current medicinal chemistry 20050101 |
| Dicaffeoyltartaric acid analogues inhibit human immunodeficiency virus type 1 (HIV-1) integrase and HIV-1 replication at nontoxic concentrations. | Journal of medicinal chemistry 20020815 |
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