hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate

C34H21N11Na6O19S6 — CID 135997776

IUPAChexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])c(/N=N/c5ccc(/N=N/c6ccc(N)c(S(=O)(=O)[O-])c6)cc5SOO[O-])c(O)c4c3N)c(S(=O)(=O)[O-])c2)cc1SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H27N11O19S6.6Na/c35-20-5-1-15(9-25(20)65-63-61-47)38-41-18-4-8-23(29(12-18)69(55,56)57)43-44-24-14-27(67(49,50)51)19-13-30(70(58,59)60)33(34(46)31(19)32(24)37)45-42-22-7-3-16(10-26(22)66-64-62-48)39-40-17-2-6-21(36)28(11-17)68(52,53)54;;;;;;/h1-14,46-48H,35-37H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6/b40-39+,41-38+,44-43+,45-42+;;;;;;
InChIKeyDMGZFPRVFAOWAS-XBFPBONSSA-H
MW1217.94 g/mol
LogP-12.94
Rot. Bonds18

About hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate

hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate (PubChem CID 135997776) has the molecular formula C34H21N11Na6O19S6 and a molecular weight of 1217.94 g/mol. Its IUPAC name is hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate.

Molecular Properties

Compound Namehexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate
PubChem CID135997776
Molecular FormulaC34H21N11Na6O19S6
Molecular Weight1217.94 g/mol
Exact Mass1216.87
IUPAC Namehexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])c(/N=N/c5ccc(/N=N/c6ccc(N)c(S(=O)(=O)[O-])c6)cc5SOO[O-])c(O)c4c3N)c(S(=O)(=O)[O-])c2)cc1SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H27N11O19S6.6Na/c35-20-5-1-15(9-25(20)65-63-61-47)38-41-18-4-8-23(29(12-18)69(55,56)57)43-44-24-14-27(67(49,50)51)19-13-30(70(58,59)60)33(34(46)31(19)32(24)37)45-42-22-7-3-16(10-26(22)66-64-62-48)39-40-17-2-6-21(36)28(11-17)68(52,53)54;;;;;;/h1-14,46-48H,35-37H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6/b40-39+,41-38+,44-43+,45-42+;;;;;;
InChIKeyDMGZFPRVFAOWAS-XBFPBONSSA-H
XLogP-12.94
TPSA509.01 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.94
LogP ≤ 5-12.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate with MolForge

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Related Compounds

pentasodium;4-amino-5-hydroxy-3-[[3-methyl-4-[(2-sulfonatobenzene-4-id-1-yl)diazenyl]phenyl]diazenyl]-6-[(2-nitro-4-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
CID 164830296
2-[[1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 135979748
tetrasodium;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanylnaphthalene-1-sulfonate;methane
CID 160782154
2-[[1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135982484
sodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1-sulfonate
CID 135666601
5-[[6-[[8-amino-7-[[6-[(3,5-dicarboxyphenyl)diazenyl]-5-hydroxy-1,7-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-dicarboxylic acid
CID 58982725
tetrasodium;3-[[4-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonate
CID 171391234
tetrasodium;4-amino-3-[[4-[(E)-2-[4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
CID 135571041
2-[[8-amino-7-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-6-sulfonaphthalen-2-yl]diazenyl]-1-hydroxy-5-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzoic acid
CID 135855035
4-amino-5-hydroxy-3,6-bis[[5-hydroxy-6-[(4-methylsulfonylphenyl)diazenyl]-1,7-disulfonaphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136621098
disodium;5-[[4-hydroxy-3-(trifluoromethyl)phenyl]diazenyl]-2-[4-[[4-hydroxy-3-(trifluoromethyl)phenyl]diazenyl]-2-oxidoperoxysulfanylphenyl]benzenesulfonate
CID 135995389
6-amino-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 135831324

Frequently Asked Questions

What is the IUPAC name of hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate?
The IUPAC name of hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate (CID 135997776) is hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate.
What is the SMILES notation for hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate?
The canonical SMILES for hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate is Nc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])c(/N=N/c5ccc(/N=N/c6ccc(N)c(S(=O)(=O)[O-])c6)cc5SOO[O-])c(O)c4c3N)c(S(=O)(=O)[O-])c2)cc1SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate?
The InChIKey is DMGZFPRVFAOWAS-XBFPBONSSA-H. The full InChI is InChI=1S/C34H27N11O19S6.6Na/c35-20-5-1-15(9-25(20)65-63-61-47)38-41-18-4-8-23(29(12-18)69(55,56)57)43-44-24-14-27(67(49,50)51)19-13-30(70(58,59)60)33(34(46)31(19)32(24)37)45-42-22-7-3-16(10-26(22)66-64-62-48)39-40-17-2-6-21(36)28(11-17)68(52,53)54;;;;;;/h1-14,46-48H,35-37H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6/b40-39+,41-38+,44-43+,45-42+;;;;;;.
What are the key properties of hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate?
hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate has a molecular weight of 1217.94 g/mol, XLogP of -12.94, 18 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;4-amino-3-[[4-[(4-amino-3-oxidoperoxysulfanylphenyl)diazenyl]-2-sulfonatophenyl]diazenyl]-6-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-2-oxidoperoxysulfanylphenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate is sourced from PubChem (CID 135997776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).