3-carboxy-3-hydroxypentanedioate;strontium-87(2+)

C6H6O7Sr — CID 172866726

IUPAC3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[87Sr+2]
InChIInChI=1S/C6H8O7.Sr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2/i;1-1
InChIKeyAOOMUVYEFFNMQG-HCMAANCNSA-L
MW277.02 g/mol
LogP-4.30
Rot. Bonds5

About 3-carboxy-3-hydroxypentanedioate;strontium-87(2+)

3-carboxy-3-hydroxypentanedioate;strontium-87(2+) (PubChem CID 172866726) has the molecular formula C6H6O7Sr and a molecular weight of 277.02 g/mol. Its IUPAC name is 3-carboxy-3-hydroxypentanedioate;strontium-87(2+).

Molecular Properties

Compound Name3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
PubChem CID172866726
Molecular FormulaC6H6O7Sr
Molecular Weight277.02 g/mol
Exact Mass276.92
IUPAC Name3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[87Sr+2]
InChIInChI=1S/C6H8O7.Sr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2/i;1-1
InChIKeyAOOMUVYEFFNMQG-HCMAANCNSA-L
XLogP-4.30
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.02
LogP ≤ 5-4.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dicalcium;3-carboxy-3-hydroxypentanedioate;carbonate
CID 158635145
aluminum;3-carboxy-3-hydroxypentanedioate;chloride
CID 88516210
disodium;carbonic acid;3-carboxy-3-hydroxypentanedioate
CID 173139315
gallium;3-carboxy-3-hydroxypentanedioate;hydroxide
CID 6711621
lithium;silver;3-carboxy-3-hydroxypentanedioate
CID 87575243
magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
CID 172769330
calcium;sodium;3-carboxy-3-hydroxypentanedioate;chloride;hydrochloride
CID 172823091
calcium;3-carboxy-3-hydroxypentanedioate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 161442924
diazanium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158907064
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 23689315
potassium;carbonic acid;3-carboxy-3,5-dihydroxy-5-oxopentanoate
CID 158416399
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173301811

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-3-hydroxypentanedioate;strontium-87(2+)?
The IUPAC name of 3-carboxy-3-hydroxypentanedioate;strontium-87(2+) (CID 172866726) is 3-carboxy-3-hydroxypentanedioate;strontium-87(2+).
What is the SMILES notation for 3-carboxy-3-hydroxypentanedioate;strontium-87(2+)?
The canonical SMILES for 3-carboxy-3-hydroxypentanedioate;strontium-87(2+) is O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[87Sr+2].
What is the InChIKey of 3-carboxy-3-hydroxypentanedioate;strontium-87(2+)?
The InChIKey is AOOMUVYEFFNMQG-HCMAANCNSA-L. The full InChI is InChI=1S/C6H8O7.Sr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2/i;1-1.
What are the key properties of 3-carboxy-3-hydroxypentanedioate;strontium-87(2+)?
3-carboxy-3-hydroxypentanedioate;strontium-87(2+) has a molecular weight of 277.02 g/mol, XLogP of -4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-3-hydroxypentanedioate;strontium-87(2+) is sourced from PubChem (CID 172866726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).