1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium

C5H11O6SU- — CID 58332397

IUPAC1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium
SMILESCC(C)(C(=O)O)S(=O)(=O)[O-].CO.[U]
InChIInChI=1S/C4H8O5S.CH4O.U/c1-4(2,3(5)6)10(7,8)9;1-2;/h1-2H3,(H,5,6)(H,7,8,9);2H,1H3;/p-1
InChIKeyPJODOSKFFCDMLB-UHFFFAOYSA-M
MW437.23 g/mol
LogP-1.00
Rot. Bonds2

About 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium

1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium (PubChem CID 58332397) has the molecular formula C5H11O6SU- and a molecular weight of 437.23 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium.

Molecular Properties

Compound Name1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium
PubChem CID58332397
Molecular FormulaC5H11O6SU-
Molecular Weight437.23 g/mol
Exact Mass437.08
IUPAC Name1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium
SMILESCC(C)(C(=O)O)S(=O)(=O)[O-].CO.[U]
InChIInChI=1S/C4H8O5S.CH4O.U/c1-4(2,3(5)6)10(7,8)9;1-2;/h1-2H3,(H,5,6)(H,7,8,9);2H,1H3;/p-1
InChIKeyPJODOSKFFCDMLB-UHFFFAOYSA-M
XLogP-1.00
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium?
The IUPAC name of 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium (CID 58332397) is 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium.
What is the SMILES notation for 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium?
The canonical SMILES for 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium is CC(C)(C(=O)O)S(=O)(=O)[O-].CO.[U].
What is the InChIKey of 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium?
The InChIKey is PJODOSKFFCDMLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O5S.CH4O.U/c1-4(2,3(5)6)10(7,8)9;1-2;/h1-2H3,(H,5,6)(H,7,8,9);2H,1H3;/p-1.
What are the key properties of 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium?
1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium has a molecular weight of 437.23 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-1-oxopropane-2-sulfonate;methanol;uranium is sourced from PubChem (CID 58332397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).