[hydroxy(methoxy)methyl] hydrogen sulfate

C2H6O6S — CID 88715714

IUPAC[hydroxy(methoxy)methyl] hydrogen sulfate
SMILESCOC(O)OS(=O)(=O)O
InChIInChI=1S/C2H6O6S/c1-7-2(3)8-9(4,5)6/h2-3H,1H3,(H,4,5,6)
InChIKeySAKCVVIZOUIJLT-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.27
Rot. Bonds3

About [hydroxy(methoxy)methyl] hydrogen sulfate

[hydroxy(methoxy)methyl] hydrogen sulfate (PubChem CID 88715714) has the molecular formula C2H6O6S and a molecular weight of 158.13 g/mol. Its IUPAC name is [hydroxy(methoxy)methyl] hydrogen sulfate.

Molecular Properties

Compound Name[hydroxy(methoxy)methyl] hydrogen sulfate
PubChem CID88715714
Molecular FormulaC2H6O6S
Molecular Weight158.13 g/mol
Exact Mass157.99
IUPAC Name[hydroxy(methoxy)methyl] hydrogen sulfate
SMILESCOC(O)OS(=O)(=O)O
InChIInChI=1S/C2H6O6S/c1-7-2(3)8-9(4,5)6/h2-3H,1H3,(H,4,5,6)
InChIKeySAKCVVIZOUIJLT-UHFFFAOYSA-N
XLogP-1.27
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

1,2,2-trisulfooxyethyl hydrogen sulfate
CID 118687560
propan-2-yl hydrogen sulfate;zirconium
CID 175368295
3-methylbutan-2-yl hydrogen sulfate
CID 87155723
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
sulfooxy hydrogen sulfate
CID 24413
1-chloropropyl hydrogen sulfate
CID 21327629
guanidine;propan-2-yl hydrogen sulfate
CID 175078270
1-sulfooxypropane-1-sulfonic acid
CID 87984449
1,2,2-trichloroethyl hydrogen sulfate
CID 174968956
2,3-disulfooxybutanedioic acid
CID 138674828
1,2,2-trifluoroethyl hydrogen sulfate
CID 23283868

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methoxy)methyl] hydrogen sulfate?
The IUPAC name of [hydroxy(methoxy)methyl] hydrogen sulfate (CID 88715714) is [hydroxy(methoxy)methyl] hydrogen sulfate.
What is the SMILES notation for [hydroxy(methoxy)methyl] hydrogen sulfate?
The canonical SMILES for [hydroxy(methoxy)methyl] hydrogen sulfate is COC(O)OS(=O)(=O)O.
What is the InChIKey of [hydroxy(methoxy)methyl] hydrogen sulfate?
The InChIKey is SAKCVVIZOUIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S/c1-7-2(3)8-9(4,5)6/h2-3H,1H3,(H,4,5,6).
What are the key properties of [hydroxy(methoxy)methyl] hydrogen sulfate?
[hydroxy(methoxy)methyl] hydrogen sulfate has a molecular weight of 158.13 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methoxy)methyl] hydrogen sulfate is sourced from PubChem (CID 88715714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).