Home Other Building Blocks CALCEIN DISODIUM SALT, INDICATOR FOR COM PLEXOMETRY

CALCEIN DISODIUM SALT, INDICATOR FOR COM PLEXOMETRY

CAS No.:
108750-13-6
Catalog Number:
AG003ONB
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003ONB
Chemical Name:
CALCEIN DISODIUM SALT, INDICATOR FOR COM PLEXOMETRY
CAS Number:
108750-13-6
MDL Number:
MFCD00076066
IUPAC Name:
disodium;2-[[7'-[[carboxylatomethyl(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetate
InChI:
InChI=1S/C30H26N2O13.2Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42;;/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;/q;2*+1/p-2
InChI Key:
ZPDXOJYVKULICC-UHFFFAOYSA-L
Properties
Complexity:
1090  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.107g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
666.503g/mol
Monoisotopic Mass:
666.107g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties