bis(hydroxymethyl) sulfate

C2H6O6S — CID 142405843

IUPACbis(hydroxymethyl) sulfate
SMILESO=S(=O)(OCO)OCO
InChIInChI=1S/C2H6O6S/c3-1-7-9(5,6)8-2-4/h3-4H,1-2H2
InChIKeyNZCYRFREEDGCMP-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.84
Rot. Bonds4

About bis(hydroxymethyl) sulfate

bis(hydroxymethyl) sulfate (PubChem CID 142405843) has the molecular formula C2H6O6S and a molecular weight of 158.13 g/mol. Its IUPAC name is bis(hydroxymethyl) sulfate.

Molecular Properties

Compound Namebis(hydroxymethyl) sulfate
PubChem CID142405843
Molecular FormulaC2H6O6S
Molecular Weight158.13 g/mol
Exact Mass157.99
IUPAC Namebis(hydroxymethyl) sulfate
SMILESO=S(=O)(OCO)OCO
InChIInChI=1S/C2H6O6S/c3-1-7-9(5,6)8-2-4/h3-4H,1-2H2
InChIKeyNZCYRFREEDGCMP-UHFFFAOYSA-N
XLogP-1.84
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(hydroxymethyl) sulfate;dihydroxymethyl hydrogen sulfate
CID 174819449
sodium hydroxymethyl sulfate
CID 23709001
hydroxymethyl 2-aminoethanesulfonate
CID 54486591
hydroxymethyl hydrogen sulfate;phosphane;urea
CID 161314681
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
diethyl sulfate;sulfuric acid
CID 158458335
CID 159839688
CID 159839688
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
bis(2-hydroxypropyl) sulfate
CID 175252820
hydroxymethyl heptane-1-sulfonate
CID 174685391
2-hydroxyethyl sulfanyl sulfate
CID 155762422
dodecyl 12-hydroxydodecyl sulfate
CID 54032685

Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethyl) sulfate?
The IUPAC name of bis(hydroxymethyl) sulfate (CID 142405843) is bis(hydroxymethyl) sulfate.
What is the SMILES notation for bis(hydroxymethyl) sulfate?
The canonical SMILES for bis(hydroxymethyl) sulfate is O=S(=O)(OCO)OCO.
What is the InChIKey of bis(hydroxymethyl) sulfate?
The InChIKey is NZCYRFREEDGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S/c3-1-7-9(5,6)8-2-4/h3-4H,1-2H2.
What are the key properties of bis(hydroxymethyl) sulfate?
bis(hydroxymethyl) sulfate has a molecular weight of 158.13 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl) sulfate is sourced from PubChem (CID 142405843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).