disodium;methanol;sulfate;dihydrate

CH8Na2O7S — CID 157446886

IUPACdisodium;methanol;sulfate;dihydrate
SMILESCO.O.O.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4O.2Na.H2O4S.2H2O/c1-2;;;1-5(2,3)4;;/h2H,1H3;;;(H2,1,2,3,4);2*1H2/q;2*+1;;;/p-2
InChIKeyBSIFKPDSTIWILK-UHFFFAOYSA-L
MW210.11 g/mol
LogP-9.37
Rot. Bonds

About disodium;methanol;sulfate;dihydrate

disodium;methanol;sulfate;dihydrate (PubChem CID 157446886) has the molecular formula CH8Na2O7S and a molecular weight of 210.11 g/mol. Its IUPAC name is disodium;methanol;sulfate;dihydrate.

Molecular Properties

Compound Namedisodium;methanol;sulfate;dihydrate
PubChem CID157446886
Molecular FormulaCH8Na2O7S
Molecular Weight210.11 g/mol
Exact Mass209.98
IUPAC Namedisodium;methanol;sulfate;dihydrate
SMILESCO.O.O.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4O.2Na.H2O4S.2H2O/c1-2;;;1-5(2,3)4;;/h2H,1H3;;;(H2,1,2,3,4);2*1H2/q;2*+1;;;/p-2
InChIKeyBSIFKPDSTIWILK-UHFFFAOYSA-L
XLogP-9.37
TPSA163.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-9.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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disodium;disulfate;hydrate
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CID 57377209
sulfate trihydrate
CID 22613957
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Frequently Asked Questions

What is the IUPAC name of disodium;methanol;sulfate;dihydrate?
The IUPAC name of disodium;methanol;sulfate;dihydrate (CID 157446886) is disodium;methanol;sulfate;dihydrate.
What is the SMILES notation for disodium;methanol;sulfate;dihydrate?
The canonical SMILES for disodium;methanol;sulfate;dihydrate is CO.O.O.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;methanol;sulfate;dihydrate?
The InChIKey is BSIFKPDSTIWILK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O.2Na.H2O4S.2H2O/c1-2;;;1-5(2,3)4;;/h2H,1H3;;;(H2,1,2,3,4);2*1H2/q;2*+1;;;/p-2.
What are the key properties of disodium;methanol;sulfate;dihydrate?
disodium;methanol;sulfate;dihydrate has a molecular weight of 210.11 g/mol, XLogP of -9.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;methanol;sulfate;dihydrate is sourced from PubChem (CID 157446886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).