trihydroxy(3-oxobutan-2-yl)phosphanium

C4H10O4P+ — CID 123718254

IUPACtrihydroxy(3-oxobutan-2-yl)phosphanium
SMILESCC(=O)C(C)[P+](O)(O)O
InChIInChI=1S/C4H10O4P/c1-3(5)4(2)9(6,7)8/h4,6-8H,1-2H3/q+1
InChIKeyWMQARYCGNBHBHK-UHFFFAOYSA-N
MW153.09 g/mol
LogP-0.30
Rot. Bonds2

About trihydroxy(3-oxobutan-2-yl)phosphanium

trihydroxy(3-oxobutan-2-yl)phosphanium (PubChem CID 123718254) has the molecular formula C4H10O4P+ and a molecular weight of 153.09 g/mol. Its IUPAC name is trihydroxy(3-oxobutan-2-yl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(3-oxobutan-2-yl)phosphanium
PubChem CID123718254
Molecular FormulaC4H10O4P+
Molecular Weight153.09 g/mol
Exact Mass153.03
IUPAC Nametrihydroxy(3-oxobutan-2-yl)phosphanium
SMILESCC(=O)C(C)[P+](O)(O)O
InChIInChI=1S/C4H10O4P/c1-3(5)4(2)9(6,7)8/h4,6-8H,1-2H3/q+1
InChIKeyWMQARYCGNBHBHK-UHFFFAOYSA-N
XLogP-0.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy(3-oxobutan-2-yl)phosphanium?
The IUPAC name of trihydroxy(3-oxobutan-2-yl)phosphanium (CID 123718254) is trihydroxy(3-oxobutan-2-yl)phosphanium.
What is the SMILES notation for trihydroxy(3-oxobutan-2-yl)phosphanium?
The canonical SMILES for trihydroxy(3-oxobutan-2-yl)phosphanium is CC(=O)C(C)[P+](O)(O)O.
What is the InChIKey of trihydroxy(3-oxobutan-2-yl)phosphanium?
The InChIKey is WMQARYCGNBHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4P/c1-3(5)4(2)9(6,7)8/h4,6-8H,1-2H3/q+1.
What are the key properties of trihydroxy(3-oxobutan-2-yl)phosphanium?
trihydroxy(3-oxobutan-2-yl)phosphanium has a molecular weight of 153.09 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(3-oxobutan-2-yl)phosphanium is sourced from PubChem (CID 123718254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).