5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid

C6H11O8P — CID 170441291

IUPAC5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid
SMILESCC(O)(C(=O)O)C(O)C(=O)COP(O)O
InChIInChI=1S/C6H11O8P/c1-6(11,5(9)10)4(8)3(7)2-14-15(12)13/h4,8,11-13H,2H2,1H3,(H,9,10)
InChIKeyLGYFJDURSHLOKQ-UHFFFAOYSA-N
MW242.12 g/mol
LogP-2.02
Rot. Bonds6

About 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid

5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid (PubChem CID 170441291) has the molecular formula C6H11O8P and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid
PubChem CID170441291
Molecular FormulaC6H11O8P
Molecular Weight242.12 g/mol
Exact Mass242.02
IUPAC Name5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid
SMILESCC(O)(C(=O)O)C(O)C(=O)COP(O)O
InChIInChI=1S/C6H11O8P/c1-6(11,5(9)10)4(8)3(7)2-14-15(12)13/h4,8,11-13H,2H2,1H3,(H,9,10)
InChIKeyLGYFJDURSHLOKQ-UHFFFAOYSA-N
XLogP-2.02
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
CID 88867821
5-amino-2,3-dihydroxy-2-methylpentanoic acid
CID 175482621
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
CID 165346508
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
2-bromo-2-hydroxypropanoic acid
CID 88707429
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
(2S)-2-hydroxy-2,3-dimethylbutanoic acid;methyl (2S)-2-hydroxy-3-methylbutanoate
CID 158364328

Frequently Asked Questions

What is the IUPAC name of 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid?
The IUPAC name of 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid (CID 170441291) is 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid?
The canonical SMILES for 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid is CC(O)(C(=O)O)C(O)C(=O)COP(O)O.
What is the InChIKey of 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid?
The InChIKey is LGYFJDURSHLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O8P/c1-6(11,5(9)10)4(8)3(7)2-14-15(12)13/h4,8,11-13H,2H2,1H3,(H,9,10).
What are the key properties of 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid?
5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid has a molecular weight of 242.12 g/mol, XLogP of -2.02, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 170441291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).