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'}

Analyze 8-amino-1-hydroxy-2H-naphthalene-1,2-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 20144055
CID 20144055
CID 129871712
CID 129871712
CID 129869666
CID 129869666
CID 178715164
CID 178715164
CID 14265894
CID 14265894
CID 14368460
CID 14368460
CID 22062317
CID 22062317
CID 23091822
CID 23091822
CID 54960370
CID 54960370
CID 57016645
CID 57016645
CID 60650349
CID 60650349
CID 60661318
CID 60661318

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).