2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid

C10H11NO7S2 — CID 87878168

IUPAC2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid
SMILESNC1C=Cc2c(cccc2S(=O)(=O)O)C1(O)S(=O)(=O)O
InChIInChI=1S/C10H11NO7S2/c11-9-5-4-6-7(10(9,12)20(16,17)18)2-1-3-8(6)19(13,14)15/h1-5,9,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyGUTAOGKOQJOVRQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.68
Rot. Bonds2

About 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid

2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid (PubChem CID 87878168) has the molecular formula C10H11NO7S2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid
PubChem CID87878168
Molecular FormulaC10H11NO7S2
Molecular Weight321.33 g/mol
Exact Mass321.00
IUPAC Name2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid
SMILESNC1C=Cc2c(cccc2S(=O)(=O)O)C1(O)S(=O)(=O)O
InChIInChI=1S/C10H11NO7S2/c11-9-5-4-6-7(10(9,12)20(16,17)18)2-1-3-8(6)19(13,14)15/h1-5,9,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyGUTAOGKOQJOVRQ-UHFFFAOYSA-N
XLogP-0.68
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 ≤ 5-0.68
H-Bond Donors ≤ 54
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 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid?
The IUPAC name of 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid (CID 87878168) is 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid.
What is the SMILES notation for 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid?
The canonical SMILES for 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid is NC1C=Cc2c(cccc2S(=O)(=O)O)C1(O)S(=O)(=O)O.
What is the InChIKey of 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid?
The InChIKey is GUTAOGKOQJOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO7S2/c11-9-5-4-6-7(10(9,12)20(16,17)18)2-1-3-8(6)19(13,14)15/h1-5,9,12H,11H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid?
2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid has a molecular weight of 321.33 g/mol, XLogP of -0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid is sourced from PubChem (CID 87878168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).