2-amino-3-hydroxynaphthalene-1,7-disulfonic acid

C10H9NO7S2 — CID 57310744

IUPAC2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
SMILESNc1c(O)cc2ccc(S(=O)(=O)O)cc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO7S2/c11-9-8(12)3-5-1-2-6(19(13,14)15)4-7(5)10(9)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyQVINSIHUZATNDJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.62
Rot. Bonds2

About 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid

2-amino-3-hydroxynaphthalene-1,7-disulfonic acid (PubChem CID 57310744) has the molecular formula C10H9NO7S2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
PubChem CID57310744
Molecular FormulaC10H9NO7S2
Molecular Weight319.32 g/mol
Exact Mass318.98
IUPAC Name2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
SMILESNc1c(O)cc2ccc(S(=O)(=O)O)cc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO7S2/c11-9-8(12)3-5-1-2-6(19(13,14)15)4-7(5)10(9)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyQVINSIHUZATNDJ-UHFFFAOYSA-N
XLogP0.62
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 87256464
CID 87256464
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
3,4-diaminonaphthalene-1,7-disulfonic acid
CID 174341204
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
CID 87126465
CID 87126465
6-amino-8-nitronaphthalene-2-sulfonic acid
CID 118985201
CID 87753732
CID 87753732
3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
CID 143119563
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
naphthalene-2,3,6-trisulfonic acid
CID 42609669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid?
The IUPAC name of 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid (CID 57310744) is 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid.
What is the SMILES notation for 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid?
The canonical SMILES for 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid is Nc1c(O)cc2ccc(S(=O)(=O)O)cc2c1S(=O)(=O)O.
What is the InChIKey of 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid?
The InChIKey is QVINSIHUZATNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO7S2/c11-9-8(12)3-5-1-2-6(19(13,14)15)4-7(5)10(9)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid?
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid has a molecular weight of 319.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxynaphthalene-1,7-disulfonic acid is sourced from PubChem (CID 57310744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).