sodium hydroxymethyl sulfate

CH3NaO5S — CID 23709001

IUPACsodium hydroxymethyl sulfate
SMILESO=S(=O)([O-])OCO.[Na+]
InChIInChI=1S/CH4O5S.Na/c2-1-6-7(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyJYZHDAPVPDRVRC-UHFFFAOYSA-M
MW150.09 g/mol
LogP-4.58
Rot. Bonds2

About sodium hydroxymethyl sulfate

sodium hydroxymethyl sulfate (PubChem CID 23709001) has the molecular formula CH3NaO5S and a molecular weight of 150.09 g/mol. Its IUPAC name is sodium hydroxymethyl sulfate.

Molecular Properties

Compound Namesodium hydroxymethyl sulfate
PubChem CID23709001
Molecular FormulaCH3NaO5S
Molecular Weight150.09 g/mol
Exact Mass149.96
IUPAC Namesodium hydroxymethyl sulfate
SMILESO=S(=O)([O-])OCO.[Na+]
InChIInChI=1S/CH4O5S.Na/c2-1-6-7(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyJYZHDAPVPDRVRC-UHFFFAOYSA-M
XLogP-4.58
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-4.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

hydron;2-hydroxyethyl sulfate
CID 173263896
bis(hydroxymethyl) sulfate
CID 142405843
lithium 5-hydroxypentyl sulfate
CID 23563916
12-hydroxydodecyl sulfate
CID 167388974
disodium;ethane-1,2-diol;sulfate
CID 158719389
ethyl sulfate;tetramethylphosphanium
CID 161050866
lithium fluoromethyl sulfate
CID 118676430
hydron;2-hydroxyprop-2-enyl sulfate
CID 173263988
azanium [4-hydroxy-2,2-bis(2-hydroxyethyl)butyl] sulfate
CID 141385996
ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
cadmium(2+);ethyl sulfate
CID 57361489

Frequently Asked Questions

What is the IUPAC name of sodium hydroxymethyl sulfate?
The IUPAC name of sodium hydroxymethyl sulfate (CID 23709001) is sodium hydroxymethyl sulfate.
What is the SMILES notation for sodium hydroxymethyl sulfate?
The canonical SMILES for sodium hydroxymethyl sulfate is O=S(=O)([O-])OCO.[Na+].
What is the InChIKey of sodium hydroxymethyl sulfate?
The InChIKey is JYZHDAPVPDRVRC-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O5S.Na/c2-1-6-7(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1.
What are the key properties of sodium hydroxymethyl sulfate?
sodium hydroxymethyl sulfate has a molecular weight of 150.09 g/mol, XLogP of -4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxymethyl sulfate is sourced from PubChem (CID 23709001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).