trihydroxy(2-oxopropyl)phosphanium

C3H8O4P+ — CID 54535338

IUPACtrihydroxy(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1
InChIKeyBKIFMXCSOFHGBC-UHFFFAOYSA-N
MW139.07 g/mol
LogP-0.69
Rot. Bonds2

About trihydroxy(2-oxopropyl)phosphanium

trihydroxy(2-oxopropyl)phosphanium (PubChem CID 54535338) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is trihydroxy(2-oxopropyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(2-oxopropyl)phosphanium
PubChem CID54535338
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Nametrihydroxy(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1
InChIKeyBKIFMXCSOFHGBC-UHFFFAOYSA-N
XLogP-0.69
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 5-0.69
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-oxopropyl)phosphanium?
The IUPAC name of trihydroxy(2-oxopropyl)phosphanium (CID 54535338) is trihydroxy(2-oxopropyl)phosphanium.
What is the SMILES notation for trihydroxy(2-oxopropyl)phosphanium?
The canonical SMILES for trihydroxy(2-oxopropyl)phosphanium is CC(=O)C[P+](O)(O)O.
What is the InChIKey of trihydroxy(2-oxopropyl)phosphanium?
The InChIKey is BKIFMXCSOFHGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1.
What are the key properties of trihydroxy(2-oxopropyl)phosphanium?
trihydroxy(2-oxopropyl)phosphanium has a molecular weight of 139.07 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(2-oxopropyl)phosphanium is sourced from PubChem (CID 54535338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).