CAS 129749-38-8 | Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy- | CAS Number 129749-38-8

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129749-38-8 | Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy-

CAS No: 129749-38-8 Catalog No: AG000TMW MDL No:

Product Description

Catalog Number:

AG000TMW

Chemical Name:

Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy-

CAS Number:

129749-38-8

Molecular Formula:

C22H16O9

Molecular Weight:

424.3570

IUPAC Name:

5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

InChI:

InChI=1S/C22H16O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,19,23-25H,(H,26,27)(H,28,29)(H,30,31)

InChI Key:

WDHMZEQRWAWXPD-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1O)C(c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C(=O)O)O

Properties

Complexity:

590

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

424.361g/mol

Monoisotopic Mass:

424.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

173A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Aurintricarboxylic acid modulates the affinity of hepatitis C virus NS3 helicase for both nucleic acid and ATP.	Biochemistry 20130910
Synthesis and anti-HIV activities of low molecular weight aurintricarboxylic acid fragments and related compounds.	Journal of medicinal chemistry 19910101