(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium

C4H7O5P — CID 171439253

IUPAC(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium
SMILESCC(C(O)C(=O)O)[P+](=O)[O-]
InChIInChI=1S/C4H7O5P/c1-2(10(8)9)3(5)4(6)7/h2-3,5H,1H3,(H,6,7)
InChIKeyNYLBBZJDSUTLTF-UHFFFAOYSA-N
MW166.07 g/mol
LogP-1.08
Rot. Bonds3

About (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium

(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium (PubChem CID 171439253) has the molecular formula C4H7O5P and a molecular weight of 166.07 g/mol. Its IUPAC name is (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium
PubChem CID171439253
Molecular FormulaC4H7O5P
Molecular Weight166.07 g/mol
Exact Mass166.00
IUPAC Name(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium
SMILESCC(C(O)C(=O)O)[P+](=O)[O-]
InChIInChI=1S/C4H7O5P/c1-2(10(8)9)3(5)4(6)7/h2-3,5H,1H3,(H,6,7)
InChIKeyNYLBBZJDSUTLTF-UHFFFAOYSA-N
XLogP-1.08
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 1-hydroxyethyl-oxido-oxophosphanium
CID 23706939
calcium bis(1-hydroxyethyl-oxido-oxophosphanium)
CID 13389887
CID 170844591
CID 170844591
(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium
CID 45479579
2-hydroxy-3-nitrobutanoic acid
CID 55299089
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665341

Frequently Asked Questions

What is the IUPAC name of (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium?
The IUPAC name of (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium (CID 171439253) is (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium.
What is the SMILES notation for (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium?
The canonical SMILES for (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium is CC(C(O)C(=O)O)[P+](=O)[O-].
What is the InChIKey of (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium?
The InChIKey is NYLBBZJDSUTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O5P/c1-2(10(8)9)3(5)4(6)7/h2-3,5H,1H3,(H,6,7).
What are the key properties of (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium?
(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium has a molecular weight of 166.07 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium is sourced from PubChem (CID 171439253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).