phosphanium 2-sulfoacetate

C2H7O5PS — CID 159107463

IUPACphosphanium 2-sulfoacetate
SMILESO=C([O-])CS(=O)(=O)O.[PH4+]
InChIInChI=1S/C2H4O5S.H3P/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);1H3
InChIKeyKEBKSEYXZZMILK-UHFFFAOYSA-N
MW174.11 g/mol
LogP-2.59
Rot. Bonds2

About phosphanium 2-sulfoacetate

phosphanium 2-sulfoacetate (PubChem CID 159107463) has the molecular formula C2H7O5PS and a molecular weight of 174.11 g/mol. Its IUPAC name is phosphanium 2-sulfoacetate.

Molecular Properties

Compound Namephosphanium 2-sulfoacetate
PubChem CID159107463
Molecular FormulaC2H7O5PS
Molecular Weight174.11 g/mol
Exact Mass173.98
IUPAC Namephosphanium 2-sulfoacetate
SMILESO=C([O-])CS(=O)(=O)O.[PH4+]
InChIInChI=1S/C2H4O5S.H3P/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);1H3
InChIKeyKEBKSEYXZZMILK-UHFFFAOYSA-N
XLogP-2.59
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-2.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-sulfoacetate
CID 23671920
lithium 2-oxo-3-sulfopropanoate
CID 175429623
trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
CID 102181566
CID 87367407
CID 87367407
2,3-dioxobutane-1-sulfonic acid
CID 175261536
azane;2-sulfoacetic acid
CID 131882326
sodium;prop-2-enoxybenzene;2-sulfoacetate
CID 134278126
disodium;hydride;2-sulfoacetic acid
CID 173199775
ethane;2-sulfoacetic acid
CID 87201731
calcium;sulfuric acid;diacetate
CID 173099353
calcium bis(4-sulfobutanoate)
CID 87400000
magnesium;sulfuric acid;carbonate
CID 174916086

Frequently Asked Questions

What is the IUPAC name of phosphanium 2-sulfoacetate?
The IUPAC name of phosphanium 2-sulfoacetate (CID 159107463) is phosphanium 2-sulfoacetate.
What is the SMILES notation for phosphanium 2-sulfoacetate?
The canonical SMILES for phosphanium 2-sulfoacetate is O=C([O-])CS(=O)(=O)O.[PH4+].
What is the InChIKey of phosphanium 2-sulfoacetate?
The InChIKey is KEBKSEYXZZMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.H3P/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);1H3.
What are the key properties of phosphanium 2-sulfoacetate?
phosphanium 2-sulfoacetate has a molecular weight of 174.11 g/mol, XLogP of -2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium 2-sulfoacetate is sourced from PubChem (CID 159107463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).