2,2'-Dihydroxy-1,1'-binaphthyl-6,6'-disulfonic Acid Disodium Salt - CAS 920009-93-4

Catalog:	BB062926
Product Name:	2,2'-Dihydroxy-1,1'-binaphthyl-6,6'-disulfonic Acid Disodium Salt
CAS:	920009-93-4
Synonyms:	2,2'-Dihydroxy-[1,1'-binaphthalene]-6,6'-disulfonic Acid Sodium Salt

Technical Data

IUPAC Name:	disodium6-hydroxy-5-(2-hydroxy-6-sulfonatonaphthalen-1-yl)naphthalene-2-sulfonate
Description:	2,2'-Dihydroxy-1,1'-binaphthyl-6,6'-disulfonic acid is involved in the biosynthesis of natural products containing biaryl linkages.
Molecular Weight:	490.41
Molecular Formula:	C20H12Na2O8S2
Canonical SMILES:	C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])O)O)C=C1S(=O)(=O)[O-].[Na+].[Na+]
InChI:	InChI=1S/C20H14O8S2.2Na/c21-17-7-1-11-9-13(29(23,24)25)3-5-15(11)19(17)20-16-6-4-14(30(26,27)28)10-12(16)2-8-18(20)22/h1-10,21-22H,(H,23,24,25)(H,26,27,28)/q2*+1/p-2
InChI Key:	IZDQCMLGYTYWJL-UHFFFAOYSA-L
References:	Pal, S., et al. Soil Biol. Biochem., 26, 813 (1994),.

Complexity:	733
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	489.97689825
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	489.97689825
Rotatable Bond Count:	1
Topological Polar Surface Area:	172Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0