5-hydroxyindole-1,6-disulfonic acid

C8H7NO7S2 — CID 88874466

IUPAC5-hydroxyindole-1,6-disulfonic acid
SMILESO=S(=O)(O)c1cc2c(ccn2S(=O)(=O)O)cc1O
InChIInChI=1S/C8H7NO7S2/c10-7-3-5-1-2-9(18(14,15)16)6(5)4-8(7)17(11,12)13/h1-4,10H,(H,11,12,13)(H,14,15,16)
InChIKeyNIEPMVGTNCARAX-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.24
Rot. Bonds2

About 5-hydroxyindole-1,6-disulfonic acid

5-hydroxyindole-1,6-disulfonic acid (PubChem CID 88874466) has the molecular formula C8H7NO7S2 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-hydroxyindole-1,6-disulfonic acid.

Molecular Properties

Compound Name5-hydroxyindole-1,6-disulfonic acid
PubChem CID88874466
Molecular FormulaC8H7NO7S2
Molecular Weight293.28 g/mol
Exact Mass292.97
IUPAC Name5-hydroxyindole-1,6-disulfonic acid
SMILESO=S(=O)(O)c1cc2c(ccn2S(=O)(=O)O)cc1O
InChIInChI=1S/C8H7NO7S2/c10-7-3-5-1-2-9(18(14,15)16)6(5)4-8(7)17(11,12)13/h1-4,10H,(H,11,12,13)(H,14,15,16)
InChIKeyNIEPMVGTNCARAX-UHFFFAOYSA-N
XLogP0.24
TPSA133.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyindole-1,6-disulfonic acid?
The IUPAC name of 5-hydroxyindole-1,6-disulfonic acid (CID 88874466) is 5-hydroxyindole-1,6-disulfonic acid.
What is the SMILES notation for 5-hydroxyindole-1,6-disulfonic acid?
The canonical SMILES for 5-hydroxyindole-1,6-disulfonic acid is O=S(=O)(O)c1cc2c(ccn2S(=O)(=O)O)cc1O.
What is the InChIKey of 5-hydroxyindole-1,6-disulfonic acid?
The InChIKey is NIEPMVGTNCARAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO7S2/c10-7-3-5-1-2-9(18(14,15)16)6(5)4-8(7)17(11,12)13/h1-4,10H,(H,11,12,13)(H,14,15,16).
What are the key properties of 5-hydroxyindole-1,6-disulfonic acid?
5-hydroxyindole-1,6-disulfonic acid has a molecular weight of 293.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyindole-1,6-disulfonic acid is sourced from PubChem (CID 88874466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).