trihydroxy(2-oxobutyl)phosphanium

C4H10O4P+ — CID 88999678

IUPACtrihydroxy(2-oxobutyl)phosphanium
SMILESCCC(=O)C[P+](O)(O)O
InChIInChI=1S/C4H10O4P/c1-2-4(5)3-9(6,7)8/h6-8H,2-3H2,1H3/q+1
InChIKeyDJDWHNFTSGYVPG-UHFFFAOYSA-N
MW153.09 g/mol
LogP-0.29
Rot. Bonds3

About trihydroxy(2-oxobutyl)phosphanium

trihydroxy(2-oxobutyl)phosphanium (PubChem CID 88999678) has the molecular formula C4H10O4P+ and a molecular weight of 153.09 g/mol. Its IUPAC name is trihydroxy(2-oxobutyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(2-oxobutyl)phosphanium
PubChem CID88999678
Molecular FormulaC4H10O4P+
Molecular Weight153.09 g/mol
Exact Mass153.03
IUPAC Nametrihydroxy(2-oxobutyl)phosphanium
SMILESCCC(=O)C[P+](O)(O)O
InChIInChI=1S/C4H10O4P/c1-2-4(5)3-9(6,7)8/h6-8H,2-3H2,1H3/q+1
InChIKeyDJDWHNFTSGYVPG-UHFFFAOYSA-N
XLogP-0.29
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 5-0.29
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(2-oxobutyl)phosphanium?
The IUPAC name of trihydroxy(2-oxobutyl)phosphanium (CID 88999678) is trihydroxy(2-oxobutyl)phosphanium.
What is the SMILES notation for trihydroxy(2-oxobutyl)phosphanium?
The canonical SMILES for trihydroxy(2-oxobutyl)phosphanium is CCC(=O)C[P+](O)(O)O.
What is the InChIKey of trihydroxy(2-oxobutyl)phosphanium?
The InChIKey is DJDWHNFTSGYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4P/c1-2-4(5)3-9(6,7)8/h6-8H,2-3H2,1H3/q+1.
What are the key properties of trihydroxy(2-oxobutyl)phosphanium?
trihydroxy(2-oxobutyl)phosphanium has a molecular weight of 153.09 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(2-oxobutyl)phosphanium is sourced from PubChem (CID 88999678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).