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2'-amino-3'-(3,5-dicarboxyphenyl)-5'-methyl-[1,1'-biphenyl]-3,5-dicarboxylic acid

2'-amino-3'-(3,5-dicarboxyphenyl)-5'-methyl-[1,1'-biphenyl]-3,5-dicarboxylic acid

Formula: C23H17NO8

SMILES: CC1=CC(=C(N)C(=C1)C1=CC(=CC(=C1)C(O)=O)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O

IUPAC: 2'-amino-3'-(3,5-dicarboxyphenyl)-5'-methyl-[1,1'-biphenyl]-3,5-dicarboxylic acid

InChI: InChI=1S/C23H17NO8/c1-10-2-17(11-4-13(20(25)26)8-14(5-11)21(27)28)19(24)18(3-10)12-6-15(22(29)30)9-16(7-12)23(31)32/h2-9H,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

Composition: C (63.45%), H (3.94%), N (3.22%), O (29.40%)

Molar Mass: 435.388

Atom Count: 49

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 435.095416511
Formal Charge 0
FSP3 0.04
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 5
InChIKey YHVFZZVBPPCQOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.1
Topological Polar Surface Area 175.22
Polarizability 44.44
Ring Count 3
Rotatable Bond Count 6

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