disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate

C10H7NNa2O7S2 — CID 162368683

IUPACdisodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc2c1O.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-9-8(20(16,17)18)4-5-3-6(19(13,14)15)1-2-7(5)10(9)12;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyZNQUYMVHSBNQAM-UHFFFAOYSA-L
MW363.28 g/mol
LogP-6.06
Rot. Bonds2

About disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate

disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate (PubChem CID 162368683) has the molecular formula C10H7NNa2O7S2 and a molecular weight of 363.28 g/mol. Its IUPAC name is disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate.

Molecular Properties

Compound Namedisodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate
PubChem CID162368683
Molecular FormulaC10H7NNa2O7S2
Molecular Weight363.28 g/mol
Exact Mass362.95
IUPAC Namedisodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc2c1O.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-9-8(20(16,17)18)4-5-3-6(19(13,14)15)1-2-7(5)10(9)12;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyZNQUYMVHSBNQAM-UHFFFAOYSA-L
XLogP-6.06
TPSA160.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 5-6.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate?
The IUPAC name of disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate (CID 162368683) is disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate.
What is the SMILES notation for disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate?
The canonical SMILES for disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate is Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc2c1O.[Na+].[Na+].
What is the InChIKey of disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate?
The InChIKey is ZNQUYMVHSBNQAM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO7S2.2Na/c11-9-8(20(16,17)18)4-5-3-6(19(13,14)15)1-2-7(5)10(9)12;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2.
What are the key properties of disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate?
disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate has a molecular weight of 363.28 g/mol, XLogP of -6.06, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-amino-4-hydroxynaphthalene-2,7-disulfonate is sourced from PubChem (CID 162368683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).