CID 173445349

C7H10Na2O9S2 — CID 173445349

IUPAC—
SMILESO=C(O)c1ccccc1O.O=S(=O)(O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6O3.2Na.H2O6S2.2H/c8-6-4-2-1-3-5(6)7(9)10;;;1-7(2,3)8(4,5)6;;/h1-4,8H,(H,9,10);;;(H,1,2,3)(H,4,5,6);;/q;2*+1;;2*-1
InChIKeyFUIPHJOEWAPLBZ-UHFFFAOYSA-N
MW348.26 g/mol
LogP-6.00
Rot. Bonds2

About CID 173445349

CID 173445349 (PubChem CID 173445349) has the molecular formula C7H10Na2O9S2 and a molecular weight of 348.26 g/mol.

Molecular Properties

Compound NameCID 173445349
PubChem CID173445349
Molecular FormulaC7H10Na2O9S2
Molecular Weight348.26 g/mol
Exact Mass347.96
IUPAC Name—
SMILESO=C(O)c1ccccc1O.O=S(=O)(O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6O3.2Na.H2O6S2.2H/c8-6-4-2-1-3-5(6)7(9)10;;;1-7(2,3)8(4,5)6;;/h1-4,8H,(H,9,10);;;(H,1,2,3)(H,4,5,6);;/q;2*+1;;2*-1
InChIKeyFUIPHJOEWAPLBZ-UHFFFAOYSA-N
XLogP-6.00
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 5-6.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173445349?
The IUPAC name of CID 173445349 (CID 173445349) is not available.
What is the SMILES notation for CID 173445349?
The canonical SMILES for CID 173445349 is O=C(O)c1ccccc1O.O=S(=O)(O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of CID 173445349?
The InChIKey is FUIPHJOEWAPLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.2Na.H2O6S2.2H/c8-6-4-2-1-3-5(6)7(9)10;;;1-7(2,3)8(4,5)6;;/h1-4,8H,(H,9,10);;;(H,1,2,3)(H,4,5,6);;/q;2*+1;;2*-1.
What are the key properties of CID 173445349?
CID 173445349 has a molecular weight of 348.26 g/mol, XLogP of -6.00, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173445349 is sourced from PubChem (CID 173445349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).