Compound C12H16N2O6S

2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid

CAS: 25565-25-7

Molecular Formula	`C12H16N2O6S`
Molecular Weight	316.33 g/mol
LogP	-5.2
Topological Polar Surface Area	192.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	316.0729
Heavy Atoms	21
Complexity	383.0

Chemical Identifiers

CAS Number	25565-25-7
SMILES	`C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)N`
InChIKey	`SXISMOAILJWTID-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H16N2O6S (CAS: 25565-25-7) is a chemical compound with molecular formula C12H16N2O6S and molecular weight 316.33 g/mol. Its IUPAC systematic name is 2-amino-3-[3-(2-amino-2-carboxyethyl)sulfanyl-4,5-dihydroxyphenyl]propanoic acid. LogP -5.2 Topological Polar Surface Area 192.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 316.0729 Heavy Atoms 21 Complexity 383.0 InChI Key: SXISMOAILJWTID-UHFFFAOYSA-N. SMILES: C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)N.

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