8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid

C10H11NO7S2 — CID 88714205

IUPAC8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid
SMILESNc1cccc2c1C(O)(S(=O)(=O)O)C(S(=O)(=O)O)C=C2
InChIInChI=1S/C10H11NO7S2/c11-7-3-1-2-6-4-5-8(19(13,14)15)10(12,9(6)7)20(16,17)18/h1-5,8,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyOGLBBSVOTSBYSM-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.42
Rot. Bonds2

About 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid

8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid (PubChem CID 88714205) has the molecular formula C10H11NO7S2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid.

Molecular Properties

Compound Name8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid
PubChem CID88714205
Molecular FormulaC10H11NO7S2
Molecular Weight321.33 g/mol
Exact Mass321.00
IUPAC Name8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid
SMILESNc1cccc2c1C(O)(S(=O)(=O)O)C(S(=O)(=O)O)C=C2
InChIInChI=1S/C10H11NO7S2/c11-7-3-1-2-6-4-5-8(19(13,14)15)10(12,9(6)7)20(16,17)18/h1-5,8,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyOGLBBSVOTSBYSM-UHFFFAOYSA-N
XLogP-0.42
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid?
The IUPAC name of 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid (CID 88714205) is 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid.
What is the SMILES notation for 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid?
The canonical SMILES for 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid is Nc1cccc2c1C(O)(S(=O)(=O)O)C(S(=O)(=O)O)C=C2.
What is the InChIKey of 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid?
The InChIKey is OGLBBSVOTSBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO7S2/c11-7-3-1-2-6-4-5-8(19(13,14)15)10(12,9(6)7)20(16,17)18/h1-5,8,12H,11H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid?
8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid has a molecular weight of 321.33 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid is sourced from PubChem (CID 88714205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).