1-carboxyethoxy-hydroxy-oxophosphanium

C3H6O5P+ — CID 88801828

IUPAC1-carboxyethoxy-hydroxy-oxophosphanium
SMILESCC(O[P+](=O)O)C(=O)O
InChIInChI=1S/C3H5O5P/c1-2(3(4)5)8-9(6)7/h2H,1H3,(H-,4,5,6,7)/p+1
InChIKeyBCOWRWYTSXOKHJ-UHFFFAOYSA-O
MW153.05 g/mol
LogP0.13
Rot. Bonds3

About 1-carboxyethoxy-hydroxy-oxophosphanium

1-carboxyethoxy-hydroxy-oxophosphanium (PubChem CID 88801828) has the molecular formula C3H6O5P+ and a molecular weight of 153.05 g/mol. Its IUPAC name is 1-carboxyethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-carboxyethoxy-hydroxy-oxophosphanium
PubChem CID88801828
Molecular FormulaC3H6O5P+
Molecular Weight153.05 g/mol
Exact Mass152.99
IUPAC Name1-carboxyethoxy-hydroxy-oxophosphanium
SMILESCC(O[P+](=O)O)C(=O)O
InChIInChI=1S/C3H5O5P/c1-2(3(4)5)8-9(6)7/h2H,1H3,(H-,4,5,6,7)/p+1
InChIKeyBCOWRWYTSXOKHJ-UHFFFAOYSA-O
XLogP0.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetyloxypropanoic acid
CID 6326324
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
CID 88613904
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
2-methoxypropanoic acid;titanium
CID 175177225
2-methoxypropanoic acid;zirconium
CID 174567743
2-methylpropanoic acid;ruthenium
CID 88674751
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405
2-methylperoxypropanoic acid
CID 151920792
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815

Frequently Asked Questions

What is the IUPAC name of 1-carboxyethoxy-hydroxy-oxophosphanium?
The IUPAC name of 1-carboxyethoxy-hydroxy-oxophosphanium (CID 88801828) is 1-carboxyethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1-carboxyethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 1-carboxyethoxy-hydroxy-oxophosphanium is CC(O[P+](=O)O)C(=O)O.
What is the InChIKey of 1-carboxyethoxy-hydroxy-oxophosphanium?
The InChIKey is BCOWRWYTSXOKHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O5P/c1-2(3(4)5)8-9(6)7/h2H,1H3,(H-,4,5,6,7)/p+1.
What are the key properties of 1-carboxyethoxy-hydroxy-oxophosphanium?
1-carboxyethoxy-hydroxy-oxophosphanium has a molecular weight of 153.05 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88801828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).