CID 175708159

H3NaO11S4 — CID 175708159

IUPAC—
SMILESO=S(=O)([O-])S(=O)(=O)O.O=S(O)S(=O)(=O)O.[Na+]
InChIInChI=1S/Na.H2O6S2.H2O5S2/c;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5/h;(H,1,2,3)(H,4,5,6);(H,1,2)(H,3,4,5)/q+1;;/p-1
InChIKeyAUZHGZZSBGEPPO-UHFFFAOYSA-M
MW330.27 g/mol
LogP-5.65
Rot. Bonds2

About CID 175708159

CID 175708159 (PubChem CID 175708159) has the molecular formula H3NaO11S4 and a molecular weight of 330.27 g/mol.

Molecular Properties

Compound NameCID 175708159
PubChem CID175708159
Molecular FormulaH3NaO11S4
Molecular Weight330.27 g/mol
Exact Mass329.85
IUPAC Name—
SMILESO=S(=O)([O-])S(=O)(=O)O.O=S(O)S(=O)(=O)O.[Na+]
InChIInChI=1S/Na.H2O6S2.H2O5S2/c;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5/h;(H,1,2,3)(H,4,5,6);(H,1,2)(H,3,4,5)/q+1;;/p-1
InChIKeyAUZHGZZSBGEPPO-UHFFFAOYSA-M
XLogP-5.65
TPSA203.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 5-5.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175708159?
The IUPAC name of CID 175708159 (CID 175708159) is not available.
What is the SMILES notation for CID 175708159?
The canonical SMILES for CID 175708159 is O=S(=O)([O-])S(=O)(=O)O.O=S(O)S(=O)(=O)O.[Na+].
What is the InChIKey of CID 175708159?
The InChIKey is AUZHGZZSBGEPPO-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O6S2.H2O5S2/c;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5/h;(H,1,2,3)(H,4,5,6);(H,1,2)(H,3,4,5)/q+1;;/p-1.
What are the key properties of CID 175708159?
CID 175708159 has a molecular weight of 330.27 g/mol, XLogP of -5.65, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175708159 is sourced from PubChem (CID 175708159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).