CID 173398648

H14MgO28S7 — CID 173398648

IUPAC—
SMILESO=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Mg]
InChIInChI=1S/Mg.7H2O4S/c;7*1-5(2,3)4/h;7*(H2,1,2,3,4)
InChIKeyGWSXOBYGAAEFRU-UHFFFAOYSA-N
MW710.86 g/mol
LogP-4.95
Rot. Bonds

About CID 173398648

CID 173398648 (PubChem CID 173398648) has the molecular formula H14MgO28S7 and a molecular weight of 710.86 g/mol.

Molecular Properties

Compound NameCID 173398648
PubChem CID173398648
Molecular FormulaH14MgO28S7
Molecular Weight710.86 g/mol
Exact Mass709.76
IUPAC Name—
SMILESO=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Mg]
InChIInChI=1S/Mg.7H2O4S/c;7*1-5(2,3)4/h;7*(H2,1,2,3,4)
InChIKeyGWSXOBYGAAEFRU-UHFFFAOYSA-N
XLogP-4.95
TPSA522.20 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.86
LogP ≤ 5-4.95
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173398648?
The IUPAC name of CID 173398648 (CID 173398648) is not available.
What is the SMILES notation for CID 173398648?
The canonical SMILES for CID 173398648 is O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Mg].
What is the InChIKey of CID 173398648?
The InChIKey is GWSXOBYGAAEFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/Mg.7H2O4S/c;7*1-5(2,3)4/h;7*(H2,1,2,3,4).
What are the key properties of CID 173398648?
CID 173398648 has a molecular weight of 710.86 g/mol, XLogP of -4.95, 0 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173398648 is sourced from PubChem (CID 173398648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).