3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid

C10H10N2O7S2 — CID 143119563

IUPAC3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c2c1N
InChIInChI=1S/C10H10N2O7S2/c11-6-3-8(21(17,18)19)5-1-4(20(14,15)16)2-7(13)9(5)10(6)12/h1-3,13H,11-12H2,(H,14,15,16)(H,17,18,19)
InChIKeyGAKCLDXTINRKMD-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.20
Rot. Bonds2

About 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid

3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid (PubChem CID 143119563) has the molecular formula C10H10N2O7S2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
PubChem CID143119563
Molecular FormulaC10H10N2O7S2
Molecular Weight334.33 g/mol
Exact Mass333.99
IUPAC Name3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c2c1N
InChIInChI=1S/C10H10N2O7S2/c11-6-3-8(21(17,18)19)5-1-4(20(14,15)16)2-7(13)9(5)10(6)12/h1-3,13H,11-12H2,(H,14,15,16)(H,17,18,19)
InChIKeyGAKCLDXTINRKMD-UHFFFAOYSA-N
XLogP0.20
TPSA181.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4-diaminonaphthalene-1,7-disulfonic acid
CID 174341204
4-amino-5-hydroxynaphthalene-1,7-disulfonic acid;5-amino-4-hydroxynaphthalene-2-sulfonic acid;sulfur trioxide
CID 158624379
7-amino-6-hydroxynaphthalene-1,3-disulfonic acid
CID 22616894
CID 159749157
CID 159749157
7-acetyl-3,4-diaminonaphthalene-1,5-disulfonic acid
CID 154351656
trisodium;8-aminonaphthalene-1,3,5-trisulfonic acid;hydride
CID 173300680
4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid;2,4-diaminobenzenesulfonic acid
CID 88696579
Chromotropic acid sodium salt
CID 88518702
5-hydroxy-4-(methanesulfonamido)naphthalene-1,7-disulfonic acid
CID 19366275
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
2-aminobenzene-1,4-disulfonic acid;7-aminonaphthalene-1,3,5-trisulfonic acid
CID 88708500
4-carbamoyloxy-5-hydroxybenzene-1,3-disulfonic acid
CID 87517544

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid?
The IUPAC name of 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid (CID 143119563) is 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid.
What is the SMILES notation for 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid?
The canonical SMILES for 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid is Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c2c1N.
What is the InChIKey of 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid?
The InChIKey is GAKCLDXTINRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O7S2/c11-6-3-8(21(17,18)19)5-1-4(20(14,15)16)2-7(13)9(5)10(6)12/h1-3,13H,11-12H2,(H,14,15,16)(H,17,18,19).
What are the key properties of 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid?
3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid has a molecular weight of 334.33 g/mol, XLogP of 0.20, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid is sourced from PubChem (CID 143119563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).