dihydroxy(oxo)phosphanium;2-propylpropanedioic acid

C6H12O7P+ — CID 174636212

IUPACdihydroxy(oxo)phosphanium;2-propylpropanedioic acid
SMILESCCCC(C(=O)O)C(=O)O.O=[P+](O)O
InChIInChI=1S/C6H10O4.HO3P/c1-2-3-4(5(7)8)6(9)10;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);(H-,1,2,3)/p+1
InChIKeyPVIZYCZRFCHQST-UHFFFAOYSA-O
MW227.13 g/mol
LogP0.20
Rot. Bonds4

About dihydroxy(oxo)phosphanium;2-propylpropanedioic acid

dihydroxy(oxo)phosphanium;2-propylpropanedioic acid (PubChem CID 174636212) has the molecular formula C6H12O7P+ and a molecular weight of 227.13 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-propylpropanedioic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-propylpropanedioic acid
PubChem CID174636212
Molecular FormulaC6H12O7P+
Molecular Weight227.13 g/mol
Exact Mass227.03
IUPAC Namedihydroxy(oxo)phosphanium;2-propylpropanedioic acid
SMILESCCCC(C(=O)O)C(=O)O.O=[P+](O)O
InChIInChI=1S/C6H10O4.HO3P/c1-2-3-4(5(7)8)6(9)10;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);(H-,1,2,3)/p+1
InChIKeyPVIZYCZRFCHQST-UHFFFAOYSA-O
XLogP0.20
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-oxo-2-propylpentanoic acid
CID 40565903
2-[(1S)-1-aminobutyl]propanedioic acid
CID 118535919
2-butylpropanedioic acid;dihydrochloride
CID 87134690
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
2-nonacosylpropanedioic acid
CID 19851286
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
azane;N-methylprop-2-enamide;2-propylpropanedioic acid
CID 172771679
2-(1-aminobutyl)-3-methylbutanedioic acid
CID 88698723
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2-propylpropanedioic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;2-propylpropanedioic acid (CID 174636212) is dihydroxy(oxo)phosphanium;2-propylpropanedioic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-propylpropanedioic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-propylpropanedioic acid is CCCC(C(=O)O)C(=O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-propylpropanedioic acid?
The InChIKey is PVIZYCZRFCHQST-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10O4.HO3P/c1-2-3-4(5(7)8)6(9)10;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-propylpropanedioic acid?
dihydroxy(oxo)phosphanium;2-propylpropanedioic acid has a molecular weight of 227.13 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-propylpropanedioic acid is sourced from PubChem (CID 174636212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).