1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid

C3H10O6SSi — CID 174587094

IUPAC1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid
SMILESO=S(=O)(O)C(O)C(O)C(O)[SiH3]
InChIInChI=1S/C3H10O6SSi/c4-1(3(6)11)2(5)10(7,8)9/h1-6H,11H3,(H,7,8,9)
InChIKeyPPJRBMXKESYIAI-UHFFFAOYSA-N
MW202.26 g/mol
LogP-3.76
Rot. Bonds3

About 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid

1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid (PubChem CID 174587094) has the molecular formula C3H10O6SSi and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid
PubChem CID174587094
Molecular FormulaC3H10O6SSi
Molecular Weight202.26 g/mol
Exact Mass202.00
IUPAC Name1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid
SMILESO=S(=O)(O)C(O)C(O)C(O)[SiH3]
InChIInChI=1S/C3H10O6SSi/c4-1(3(6)11)2(5)10(7,8)9/h1-6H,11H3,(H,7,8,9)
InChIKeyPPJRBMXKESYIAI-UHFFFAOYSA-N
XLogP-3.76
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-3.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trihydroxy-3-[4-(1,2,3-trihydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
CID 90765771
(2S,3S,4R,5R)-1,2,3,4-tetrahydroxy-6-oxo-5-(sulfoamino)hexane-1-sulfonic acid
CID 87236956
ethene;sulfuric acid
CID 88750210
CID 131884696
CID 131884696
methanesulfonic acid;methanetriol
CID 174918384
sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
CID 173117052
azane;propan-2-ol;sulfuric acid
CID 174667034
copper;difluoromethanesulfonic acid
CID 174361368
sodium propane-2-sulfonic acid
CID 23363435
1,1,2-trihydroxypentane-3-sulfonic acid
CID 174997818
2-amino-1-hydroxy-2-oxoethanesulfonic acid
CID 57315808
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid?
The IUPAC name of 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid (CID 174587094) is 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid.
What is the SMILES notation for 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid?
The canonical SMILES for 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid is O=S(=O)(O)C(O)C(O)C(O)[SiH3].
What is the InChIKey of 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid?
The InChIKey is PPJRBMXKESYIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O6SSi/c4-1(3(6)11)2(5)10(7,8)9/h1-6H,11H3,(H,7,8,9).
What are the key properties of 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid?
1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid has a molecular weight of 202.26 g/mol, XLogP of -3.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trihydroxy-3-silylpropane-1-sulfonic acid is sourced from PubChem (CID 174587094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).