CID 175199933

H2Na2O13S4 — CID 175199933

IUPAC—
SMILESO=S(=O)(O)OOS(=O)(=O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O8S2.H2O5S2/c;;1-9(2,3)7-8-10(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)/q2*+1;;/p-2
InChIKeyMYDTWNYRYVARPP-UHFFFAOYSA-L
MW384.25 g/mol
LogP-9.13
Rot. Bonds4

About CID 175199933

CID 175199933 (PubChem CID 175199933) has the molecular formula H2Na2O13S4 and a molecular weight of 384.25 g/mol.

Molecular Properties

Compound NameCID 175199933
PubChem CID175199933
Molecular FormulaH2Na2O13S4
Molecular Weight384.25 g/mol
Exact Mass383.82
IUPAC Name—
SMILESO=S(=O)(O)OOS(=O)(=O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O8S2.H2O5S2/c;;1-9(2,3)7-8-10(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)/q2*+1;;/p-2
InChIKeyMYDTWNYRYVARPP-UHFFFAOYSA-L
XLogP-9.13
TPSA224.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.25
LogP ≤ 5-9.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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 175199933?
The IUPAC name of CID 175199933 (CID 175199933) is not available.
What is the SMILES notation for CID 175199933?
The canonical SMILES for CID 175199933 is O=S(=O)(O)OOS(=O)(=O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of CID 175199933?
The InChIKey is MYDTWNYRYVARPP-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O8S2.H2O5S2/c;;1-9(2,3)7-8-10(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)/q2*+1;;/p-2.
What are the key properties of CID 175199933?
CID 175199933 has a molecular weight of 384.25 g/mol, XLogP of -9.13, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175199933 is sourced from PubChem (CID 175199933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).