strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate

C8H8O8Sr — CID 160568269

IUPACstrontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
SMILESCC(=O)C(=O)[O-].O=C(O)CCC(=O)C(=O)[O-].[Sr+2]
InChIInChI=1S/C5H6O5.C3H4O3.Sr/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;/h1-2H2,(H,7,8)(H,9,10);1H3,(H,5,6);/q;;+2/p-2
InChIKeyRAFDYKDBSPCBIE-UHFFFAOYSA-L
MW319.76 g/mol
LogP-3.89
Rot. Bonds5

About strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate

strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate (PubChem CID 160568269) has the molecular formula C8H8O8Sr and a molecular weight of 319.76 g/mol. Its IUPAC name is strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate.

Molecular Properties

Compound Namestrontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
PubChem CID160568269
Molecular FormulaC8H8O8Sr
Molecular Weight319.76 g/mol
Exact Mass319.93
IUPAC Namestrontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
SMILESCC(=O)C(=O)[O-].O=C(O)CCC(=O)C(=O)[O-].[Sr+2]
InChIInChI=1S/C5H6O5.C3H4O3.Sr/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;/h1-2H2,(H,7,8)(H,9,10);1H3,(H,5,6);/q;;+2/p-2
InChIKeyRAFDYKDBSPCBIE-UHFFFAOYSA-L
XLogP-3.89
TPSA151.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 5-3.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-hydroxy-5-oxopentanoate;(2S)-2-aminopropanoate;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
CID 167558156
strontium 2-oxopentanedioate
CID 11276308
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CID 174286675
acetamide;butanedioic acid
CID 175267619
butanedioic acid;2-oxopentanedioic acid
CID 87572846
butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
calcium;2-oxopropanoate;trihydrate
CID 18324280
zinc;2-oxopropanoate;trihydrate
CID 18364061
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506

Frequently Asked Questions

What is the IUPAC name of strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate?
The IUPAC name of strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate (CID 160568269) is strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate.
What is the SMILES notation for strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate?
The canonical SMILES for strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate is CC(=O)C(=O)[O-].O=C(O)CCC(=O)C(=O)[O-].[Sr+2].
What is the InChIKey of strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate?
The InChIKey is RAFDYKDBSPCBIE-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H6O5.C3H4O3.Sr/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;/h1-2H2,(H,7,8)(H,9,10);1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate?
strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate has a molecular weight of 319.76 g/mol, XLogP of -3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate is sourced from PubChem (CID 160568269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).