N,N',N''-Tris(2,3-Dihydroxy-5-Sulfobenzoyl)-1,5,10-Triazadecane
[CAS# 71659-79-5]

Identification

• Name: N,N',N''-Tris(2,3-Dihydroxy-5-Sulfobenzoyl)-1,5,10-Triazadecane
• Synonyms: 3-[4-[(2,3-Dihydroxy-5-Sulfo-Benzoyl)Amino]Butyl-[3-[(2,3-Dihydroxy-5-Sulfo-Benzoyl)Amino]Propyl]Carbamoyl]-4,5-Dihydroxy-Benzenesulfonic Acid; 3-[[4-[[(2,3-Dihydroxy-5-Sulfophenyl)-Oxomethyl]Amino]Butyl-[3-[[(2,3-Dihydroxy-5-Sulfophenyl)-Oxomethyl]Amino]Propyl]Amino]-Oxomethyl]-4,5-Dihydroxybenzenesulfonic Acid; 3-[4-[(2,3-Dihydroxy-5-Sulfo-Phenyl)Carbonylamino]Butyl-[3-[(2,3-Dihydroxy-5-Sulfo-Phenyl)Carbonylamino]Propyl]Carbamoyl]-4,5-Dihydroxy-Benzenesulfonic Acid
• Molecular Formula: C₂₈H₃₁N₃O₁₈S₃
• Molecular Weight: 793.74
• CAS Registry Number: 71659-79-5
• SMILES: C1=C(C(=C(O)C=C1[S](=O)(=O)O)O)C(=O)N(CCCNC(=O)C2=CC(=CC(=C2O)O)[S](=O)(=O)O)CCCCNC(=O)C3=CC(=CC(=C3O)O)[S](=O)(=O)O
• InChI: 1S/C28H31N3O18S3/c32-20-11-14(50(41,42)43)8-17(23(20)35)26(38)29-4-1-2-6-31(28(40)19-10-16(52(47,48)49)13-22(34)25(19)37)7-3-5-30-27(39)18-9-15(51(44,45)46)12-21(33)24(18)36/h8-13,32-37H,1-7H2,(H,29,38)(H,30,39)(H,41,42,43)(H,44,45,46)(H,47,48,49)
• InChIKey: GJMLOFRRXVDXGW-UHFFFAOYSA-N

Properties

• Density: 1.742g/cm³ (Cal.)