bis(trihydroxymethyl) sulfate

C2H6O10S — CID 88976235

IUPACbis(trihydroxymethyl) sulfate
SMILESO=S(=O)(OC(O)(O)O)OC(O)(O)O
InChIInChI=1S/C2H6O10S/c3-1(4,5)11-13(9,10)12-2(6,7)8/h3-8H
InChIKeyPSCYDSJGTLBCQM-UHFFFAOYSA-N
MW222.13 g/mol
LogP-4.56
Rot. Bonds4

About bis(trihydroxymethyl) sulfate

bis(trihydroxymethyl) sulfate (PubChem CID 88976235) has the molecular formula C2H6O10S and a molecular weight of 222.13 g/mol. Its IUPAC name is bis(trihydroxymethyl) sulfate.

Molecular Properties

Compound Namebis(trihydroxymethyl) sulfate
PubChem CID88976235
Molecular FormulaC2H6O10S
Molecular Weight222.13 g/mol
Exact Mass221.97
IUPAC Namebis(trihydroxymethyl) sulfate
SMILESO=S(=O)(OC(O)(O)O)OC(O)(O)O
InChIInChI=1S/C2H6O10S/c3-1(4,5)11-13(9,10)12-2(6,7)8/h3-8H
InChIKeyPSCYDSJGTLBCQM-UHFFFAOYSA-N
XLogP-4.56
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.13
LogP ≤ 5-4.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

trihydroxymethyl 2,3,4,5,6-pentamethylbenzenesulfonate
CID 22906994
(1,1,2,2-tetrahydroxy-2-sulfooxyethyl) hydrogen sulfate
CID 75593299
2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid
CID 154088250
bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
CID 87154608
2-hydroxypropan-2-yl hydrogen sulfate
CID 57168677
1,1,2,2,2-pentasulfooxyethyl hydrogen sulfate
CID 118489560
sodium 2-hydroxypropan-2-yl sulfate
CID 131635008
trihydroxymethanesulfonate
CID 58933212
trifluoro(methylsulfonyl)methane
CID 11215049
3-hydroxy-3-methoxysulfonyloxy-2-methylbutanoic acid
CID 174872694
tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver
CID 175343710
(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate
CID 118489557

Frequently Asked Questions

What is the IUPAC name of bis(trihydroxymethyl) sulfate?
The IUPAC name of bis(trihydroxymethyl) sulfate (CID 88976235) is bis(trihydroxymethyl) sulfate.
What is the SMILES notation for bis(trihydroxymethyl) sulfate?
The canonical SMILES for bis(trihydroxymethyl) sulfate is O=S(=O)(OC(O)(O)O)OC(O)(O)O.
What is the InChIKey of bis(trihydroxymethyl) sulfate?
The InChIKey is PSCYDSJGTLBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O10S/c3-1(4,5)11-13(9,10)12-2(6,7)8/h3-8H.
What are the key properties of bis(trihydroxymethyl) sulfate?
bis(trihydroxymethyl) sulfate has a molecular weight of 222.13 g/mol, XLogP of -4.56, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trihydroxymethyl) sulfate is sourced from PubChem (CID 88976235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).