trihydroxy(2-oxopropanoyl)phosphanium

C3H6O5P+ — CID 90965797

IUPACtrihydroxy(2-oxopropanoyl)phosphanium
SMILESCC(=O)C(=O)[P+](O)(O)O
InChIInChI=1S/C3H6O5P/c1-2(4)3(5)9(6,7)8/h6-8H,1H3/q+1
InChIKeyAUKUWQWOAWCARW-UHFFFAOYSA-N
MW153.05 g/mol
LogP-1.16
Rot. Bonds2

About trihydroxy(2-oxopropanoyl)phosphanium

trihydroxy(2-oxopropanoyl)phosphanium (PubChem CID 90965797) has the molecular formula C3H6O5P+ and a molecular weight of 153.05 g/mol. Its IUPAC name is trihydroxy(2-oxopropanoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(2-oxopropanoyl)phosphanium
PubChem CID90965797
Molecular FormulaC3H6O5P+
Molecular Weight153.05 g/mol
Exact Mass152.99
IUPAC Nametrihydroxy(2-oxopropanoyl)phosphanium
SMILESCC(=O)C(=O)[P+](O)(O)O
InChIInChI=1S/C3H6O5P/c1-2(4)3(5)9(6,7)8/h6-8H,1H3/q+1
InChIKeyAUKUWQWOAWCARW-UHFFFAOYSA-N
XLogP-1.16
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trihydroxy(2-oxopropyl)phosphanium
CID 54535338
Trihydroxy(2-oxobutyl)phosphanium
CID 88999678
(1-Deuterio-2-oxopropyl)-trihydroxyphosphanium
CID 91437015
2-Oxopropylphosphonous acid
CID 20532336
Trihydroxy(propanoyl)phosphanium
CID 56636058
Propanoylphosphonous acid
CID 57098272
2,3-Dioxobutyl(trihydroxy)phosphanium
CID 123545267
Trihydroxy(3-oxobutan-2-yl)phosphanium
CID 123718254
Butane-2,3-dione;phosphorous acid
CID 160426545
Propan-2-one phosphite
CID 20290321
Hydroxy-dioxido-propanoylphosphanium
CID 136702972
2-Oxopropanoylphosphonic acid
CID 175163312

Frequently Asked Questions

What is the IUPAC name of trihydroxy(2-oxopropanoyl)phosphanium?
The IUPAC name of trihydroxy(2-oxopropanoyl)phosphanium (CID 90965797) is trihydroxy(2-oxopropanoyl)phosphanium.
What is the SMILES notation for trihydroxy(2-oxopropanoyl)phosphanium?
The canonical SMILES for trihydroxy(2-oxopropanoyl)phosphanium is CC(=O)C(=O)[P+](O)(O)O.
What is the InChIKey of trihydroxy(2-oxopropanoyl)phosphanium?
The InChIKey is AUKUWQWOAWCARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5P/c1-2(4)3(5)9(6,7)8/h6-8H,1H3/q+1.
What are the key properties of trihydroxy(2-oxopropanoyl)phosphanium?
trihydroxy(2-oxopropanoyl)phosphanium has a molecular weight of 153.05 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(2-oxopropanoyl)phosphanium is sourced from PubChem (CID 90965797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).