dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid

C4H10O6P+ — CID 87534592

IUPACdihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.O=[P+](O)O
InChIInChI=1S/C4H8O3.HO3P/c1-3(5)2-4(6)7;1-4(2)3/h3,5H,2H2,1H3,(H,6,7);(H-,1,2,3)/p+1
InChIKeyXPWBHLDKUWNLLY-UHFFFAOYSA-O
MW185.09 g/mol
LogP-0.53
Rot. Bonds2

About dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid

dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid (PubChem CID 87534592) has the molecular formula C4H10O6P+ and a molecular weight of 185.09 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
PubChem CID87534592
Molecular FormulaC4H10O6P+
Molecular Weight185.09 g/mol
Exact Mass185.02
IUPAC Namedihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.O=[P+](O)O
InChIInChI=1S/C4H8O3.HO3P/c1-3(5)2-4(6)7;1-4(2)3/h3,5H,2H2,1H3,(H,6,7);(H-,1,2,3)/p+1
InChIKeyXPWBHLDKUWNLLY-UHFFFAOYSA-O
XLogP-0.53
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 90459779
CID 90459779
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
butanoic acid;3-hydroxybutanoic acid
CID 131984541
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
bicyclo[3.1.0]hexane;3-hydroxybutanoic acid
CID 18408223
3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
CID 175190112
3-methylbutanoic acid
CID 20849036
(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium
CID 87462737

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid (CID 87534592) is dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid is CC(O)CC(=O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid?
The InChIKey is XPWBHLDKUWNLLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8O3.HO3P/c1-3(5)2-4(6)7;1-4(2)3/h3,5H,2H2,1H3,(H,6,7);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid?
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid has a molecular weight of 185.09 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid is sourced from PubChem (CID 87534592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).