6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid

C10H7NO8S2 — CID 23422917

IUPAC6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid
SMILESO=Nc1c(O)ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C10H7NO8S2/c12-8-2-1-6-7(10(8)11-13)3-5(20(14,15)16)4-9(6)21(17,18)19/h1-4,12H,(H,14,15,16)(H,17,18,19)
InChIKeyRNACOLVJCIGNCP-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.44
Rot. Bonds3

About 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid

6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid (PubChem CID 23422917) has the molecular formula C10H7NO8S2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid
PubChem CID23422917
Molecular FormulaC10H7NO8S2
Molecular Weight333.30 g/mol
Exact Mass332.96
IUPAC Name6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid
SMILESO=Nc1c(O)ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C10H7NO8S2/c12-8-2-1-6-7(10(8)11-13)3-5(20(14,15)16)4-9(6)21(17,18)19/h1-4,12H,(H,14,15,16)(H,17,18,19)
InChIKeyRNACOLVJCIGNCP-UHFFFAOYSA-N
XLogP1.44
TPSA158.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
CID 175582411
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
CID 126959684
3-hydroxy-4-nitrosonaphthalene-2,7-disulfonic acid;hydrate
CID 155168760
6-(methylamino)naphthalene-1,3,5-trisulfonic acid
CID 154105697
5,6-bis(methylamino)naphthalene-1,3-disulfonic acid
CID 89359053
CID 87275188
CID 87275188
CID 86743193
CID 86743193
5-(methylamino)naphthalene-1,3-disulfonic acid
CID 20626794
4-(2,3-dihydroxy-5-sulfophenyl)sulfonyloxy-5-hydroxybenzene-1,3-disulfonic acid
CID 91023682
1-hydroxy-4,7-disulfonaphthalene-2-carboxylic acid
CID 5250962
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid?
The IUPAC name of 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid (CID 23422917) is 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid.
What is the SMILES notation for 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid?
The canonical SMILES for 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid is O=Nc1c(O)ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12.
What is the InChIKey of 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid?
The InChIKey is RNACOLVJCIGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO8S2/c12-8-2-1-6-7(10(8)11-13)3-5(20(14,15)16)4-9(6)21(17,18)19/h1-4,12H,(H,14,15,16)(H,17,18,19).
What are the key properties of 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid?
6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid has a molecular weight of 333.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid is sourced from PubChem (CID 23422917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).