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CARMINE

CAS No.:
1328-60-5
Catalog Number:
AG009ABY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009ABY
Chemical Name:
CARMINE
CAS Number:
1328-60-5
IUPAC Name:
aluminum;6-carboxy-7-hydroxy-5-methyl-9,10-dioxo-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,2,4-triolate
InChI:
InChI=1S/C22H20O13.Al/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);/q;+3/p-3/t7-,14-,19+,20-,21+;/m1./s1
InChI Key:
SHJRELLQRVIXBR-FJASXRKZSA-K
EC Number:
215-527-3
Properties
Complexity:
864  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
516.048g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
516.347g/mol
Monoisotopic Mass:
516.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties