tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

C34H24N6Na4O16S4 — CID 175920514

About tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate (PubChem CID 175920514) has the molecular formula C34H24N6Na4O16S4 and a molecular weight of 992.82 g/mol. Its IUPAC name is tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.

Molecular Properties

• Compound Name: tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
• PubChem CID: 175920514
• Molecular Formula: C34H24N6Na4O16S4
• Molecular Weight: 992.82 g/mol
• Exact Mass: 991.97
• IUPAC Name: tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
• SMILES: COc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc(O)c4c(N)cc(S(=O)(=O)[O-])cc34)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc(O)c2c(N)cc(S(=O)(=O)[O-])cc12.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C34H28N6O16S4.4Na/c1-55-27-7-15(3-5-23(27)37-39-33-19-9-17(57(43,44)45)11-21(35)31(19)25(41)13-29(33)59(49,50)51)16-4-6-24(28(8-16)56-2)38-40-34-20-10-18(58(46,47)48)12-22(36)32(20)26(42)14-30(34)60(52,53)54;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+
• InChIKey: AYPFFHMXJRNMQZ-GPTZEZBUSA-J
• XLogP: -7.28
• TPSA: 389.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.82
LogP ≤ 5	-7.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate?

The IUPAC name of tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate (CID 175920514) is tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.

What is the SMILES notation for tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate?

The canonical SMILES for tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate is COc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc(O)c4c(N)cc(S(=O)(=O)[O-])cc34)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc(O)c2c(N)cc(S(=O)(=O)[O-])cc12.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate?

The InChIKey is AYPFFHMXJRNMQZ-GPTZEZBUSA-J. The full InChI is InChI=1S/C34H28N6O16S4.4Na/c1-55-27-7-15(3-5-23(27)37-39-33-19-9-17(57(43,44)45)11-21(35)31(19)25(41)13-29(33)59(49,50)51)16-4-6-24(28(8-16)56-2)38-40-34-20-10-18(58(46,47)48)12-22(36)32(20)26(42)14-30(34)60(52,53)54;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;.

What are the key properties of tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate?

tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate has a molecular weight of 992.82 g/mol, XLogP of -7.28, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;5-amino-1-[[4-[4-[(5-amino-4-hydroxy-2,7-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate is sourced from PubChem (CID 175920514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).