octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate

C51H44N10Na8O35S11 — CID 158351576

IUPACoctasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
SMILESNc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(SOO[O-])cc(O)c12.Nc1cc(N)c(S(=O)(=O)[O-])cc1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.O=S(=O)([O-])CNc1ccc2c(O)cc(SOO[O-])cc2c1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C19H19N3O13S4.C18H17N3O13S4.C14H16N4O9S3.8Na/c23-18-10-13(36-34-32-24)9-16-15(18)5-6-17(20-11-39(28,29)30)19(16)22-21-12-1-3-14(4-2-12)38(26,27)8-7-31-37-35-33-25;19-17-16-10(7-12(9-14(16)22)35-34-33-23)8-15(37(26,27)28)18(17)21-20-11-1-3-13(4-2-11)36(24,25)6-5-32-38(29,30)31;15-11-7-12(16)14(30(22,23)24)8-13(11)18-17-9-1-3-10(4-2-9)29(20,21)6-5-25-28-27-26-19;;;;;;;;/h1-6,9-10,20,23-25H,7-8,11H2,(H,28,29,30);1-4,7-9,22-23H,5-6,19H2,(H,26,27,28)(H,29,30,31);1-4,7-8,19H,5-6,15-16H2,(H,22,23,24);;;;;;;;/q;;;8*+1/p-8/b22-21+;21-20+;18-17+;;;;;;;;
InChIKeyGSJOGWFXVPKXAX-JGHPRCBHSA-F
MW1893.61 g/mol
LogP-20.61
Rot. Bonds36

About octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate

octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate (PubChem CID 158351576) has the molecular formula C51H44N10Na8O35S11 and a molecular weight of 1893.61 g/mol. Its IUPAC name is octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate.

Molecular Properties

Compound Nameoctasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
PubChem CID158351576
Molecular FormulaC51H44N10Na8O35S11
Molecular Weight1893.61 g/mol
Exact Mass1891.81
IUPAC Nameoctasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
SMILESNc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(SOO[O-])cc(O)c12.Nc1cc(N)c(S(=O)(=O)[O-])cc1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.O=S(=O)([O-])CNc1ccc2c(O)cc(SOO[O-])cc2c1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C19H19N3O13S4.C18H17N3O13S4.C14H16N4O9S3.8Na/c23-18-10-13(36-34-32-24)9-16-15(18)5-6-17(20-11-39(28,29)30)19(16)22-21-12-1-3-14(4-2-12)38(26,27)8-7-31-37-35-33-25;19-17-16-10(7-12(9-14(16)22)35-34-33-23)8-15(37(26,27)28)18(17)21-20-11-1-3-13(4-2-11)36(24,25)6-5-32-38(29,30)31;15-11-7-12(16)14(30(22,23)24)8-13(11)18-17-9-1-3-10(4-2-9)29(20,21)6-5-25-28-27-26-19;;;;;;;;/h1-6,9-10,20,23-25H,7-8,11H2,(H,28,29,30);1-4,7-9,22-23H,5-6,19H2,(H,26,27,28)(H,29,30,31);1-4,7-8,19H,5-6,15-16H2,(H,22,23,24);;;;;;;;/q;;;8*+1/p-8/b22-21+;21-20+;18-17+;;;;;;;;
InChIKeyGSJOGWFXVPKXAX-JGHPRCBHSA-F
XLogP-20.61
TPSA729.70 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds36
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.61
LogP ≤ 5-20.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Analyze octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate with MolForge

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Related Compounds

undecasodium;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
CID 159456380
tetrasodium;2-amino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-4-(sulfonatomethylamino)-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59836847
disodium;4-acetamido-2-amino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59794906
4-amino-5-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135984618
disodium;2-amino-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59836755
trisodium;4-amino-5-hydroxy-7-methylsulfonyl-3-[[4-(2-methylsulfonyloxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 161286527
tetrasodium;4-amino-5-hydroxy-3,6-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 135571104
trisodium;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate
CID 22886089
tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 59858578
trisodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3,6-bis(phenyldiazenyl)naphthalene-2-sulfonate;ethane;2-methylsulfonylethyl sulfate
CID 161409133
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
disodium;4-acetamido-2-methyl-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59858344

Frequently Asked Questions

What is the IUPAC name of octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate?
The IUPAC name of octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate (CID 158351576) is octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate.
What is the SMILES notation for octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate?
The canonical SMILES for octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate is Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(SOO[O-])cc(O)c12.Nc1cc(N)c(S(=O)(=O)[O-])cc1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.O=S(=O)([O-])CNc1ccc2c(O)cc(SOO[O-])cc2c1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate?
The InChIKey is GSJOGWFXVPKXAX-JGHPRCBHSA-F. The full InChI is InChI=1S/C19H19N3O13S4.C18H17N3O13S4.C14H16N4O9S3.8Na/c23-18-10-13(36-34-32-24)9-16-15(18)5-6-17(20-11-39(28,29)30)19(16)22-21-12-1-3-14(4-2-12)38(26,27)8-7-31-37-35-33-25;19-17-16-10(7-12(9-14(16)22)35-34-33-23)8-15(37(26,27)28)18(17)21-20-11-1-3-13(4-2-11)36(24,25)6-5-32-38(29,30)31;15-11-7-12(16)14(30(22,23)24)8-13(11)18-17-9-1-3-10(4-2-9)29(20,21)6-5-25-28-27-26-19;;;;;;;;/h1-6,9-10,20,23-25H,7-8,11H2,(H,28,29,30);1-4,7-9,22-23H,5-6,19H2,(H,26,27,28)(H,29,30,31);1-4,7-8,19H,5-6,15-16H2,(H,22,23,24);;;;;;;;/q;;;8*+1/p-8/b22-21+;21-20+;18-17+;;;;;;;;.
What are the key properties of octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate?
octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate has a molecular weight of 1893.61 g/mol, XLogP of -20.61, 36 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate is sourced from PubChem (CID 158351576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).