3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

C10H8O10S3 — CID 58969629

IUPAC3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2cc(SOOO)cc(SOOO)c2cc1O
InChIInChI=1S/C10H8O10S3/c11-8-4-7-5(2-10(8)23(14,15)16)1-6(21-19-17-12)3-9(7)22-20-18-13/h1-4,11-13H,(H,14,15,16)
InChIKeyXRMUPIQYXWBCCL-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.65
Rot. Bonds7

About 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid (PubChem CID 58969629) has the molecular formula C10H8O10S3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
PubChem CID58969629
Molecular FormulaC10H8O10S3
Molecular Weight384.37 g/mol
Exact Mass383.93
IUPAC Name3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2cc(SOOO)cc(SOOO)c2cc1O
InChIInChI=1S/C10H8O10S3/c11-8-4-7-5(2-10(8)23(14,15)16)1-6(21-19-17-12)3-9(7)22-20-18-13/h1-4,11-13H,(H,14,15,16)
InChIKeyXRMUPIQYXWBCCL-UHFFFAOYSA-N
XLogP2.65
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-3-(trioxidanylsulfanyl)benzenesulfonic acid
CID 59847377
6-[[2-[[5,7-bis(trioxidanylsulfanyl)naphthalen-2-yl]amino]pyrimidin-4-yl]amino]naphthalene-1,3-disulfonic acid
CID 20615617
2,7-dihydroxynaphthalene-1,3,6-trisulfonic acid
CID 14931165
5-hydroxy-2-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58651758
7-[[4-amino-2-(carbamoylamino)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid
CID 20764585
3-[[8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid
CID 23524189
2-fluoro-7-(trioxidanylsulfanyl)-1H-naphtho[1,2-c]diazete-5-sulfonic acid
CID 58661258
6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]-5-[[5-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid
CID 21053589
5-hydroxy-6-[[2-sulfo-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135992914
6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 59853197
2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]-5-[3-sulfo-5-(trioxidanylsulfanyl)phenoxy]-3-(trioxidanylsulfanyl)benzenesulfonic acid
CID 58750506
CID 173398336
CID 173398336

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid?
The IUPAC name of 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid (CID 58969629) is 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid.
What is the SMILES notation for 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid?
The canonical SMILES for 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid is O=S(=O)(O)c1cc2cc(SOOO)cc(SOOO)c2cc1O.
What is the InChIKey of 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid?
The InChIKey is XRMUPIQYXWBCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O10S3/c11-8-4-7-5(2-10(8)23(14,15)16)1-6(21-19-17-12)3-9(7)22-20-18-13/h1-4,11-13H,(H,14,15,16).
What are the key properties of 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid?
3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid has a molecular weight of 384.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid is sourced from PubChem (CID 58969629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).