CID 87256464

C10H8Na2O8S2 — CID 87256464

IUPAC—
SMILESO=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)c(O)c2c1.[Na].[Na]
InChIInChI=1S/C10H8O8S2.2Na/c11-8-3-5-1-2-6(19(13,14)15)4-7(5)9(12)10(8)20(16,17)18;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;
InChIKeyFSJZLKPYOSCPRL-UHFFFAOYSA-N
MW366.28 g/mol
LogP-0.02
Rot. Bonds2

About CID 87256464

CID 87256464 (PubChem CID 87256464) has the molecular formula C10H8Na2O8S2 and a molecular weight of 366.28 g/mol.

Molecular Properties

Compound NameCID 87256464
PubChem CID87256464
Molecular FormulaC10H8Na2O8S2
Molecular Weight366.28 g/mol
Exact Mass365.95
IUPAC Name—
SMILESO=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)c(O)c2c1.[Na].[Na]
InChIInChI=1S/C10H8O8S2.2Na/c11-8-3-5-1-2-6(19(13,14)15)4-7(5)9(12)10(8)20(16,17)18;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;
InChIKeyFSJZLKPYOSCPRL-UHFFFAOYSA-N
XLogP-0.02
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 5-0.02
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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Related Compounds

1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
CID 57310744
1,3-dihydroxyanthracene-2-sulfonic acid
CID 91522972
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
7-[acetyl(methyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 54489809
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
CID 87126465
CID 87126465
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
2-hydroxynaphthalene-1,3,6-trisulfonic acid;7-hydroxynaphthalene-1,3,6-trisulfonic acid
CID 88606233
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
CID 175582411

Frequently Asked Questions

What is the IUPAC name of CID 87256464?
The IUPAC name of CID 87256464 (CID 87256464) is not available.
What is the SMILES notation for CID 87256464?
The canonical SMILES for CID 87256464 is O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)c(O)c2c1.[Na].[Na].
What is the InChIKey of CID 87256464?
The InChIKey is FSJZLKPYOSCPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2.2Na/c11-8-3-5-1-2-6(19(13,14)15)4-7(5)9(12)10(8)20(16,17)18;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;.
What are the key properties of CID 87256464?
CID 87256464 has a molecular weight of 366.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87256464 is sourced from PubChem (CID 87256464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).