chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)

C12H15CrO18 — CID 173015328

IUPACchromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
SMILESO=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.[Cr+3]
InChIInChI=1S/3C4H6O6.Cr/c3*5-1(3(7)8)2(6)4(9)10;/h3*1-2,5-6H,(H,7,8)(H,9,10);/q;;;+3/p-3
InChIKeyLGMVZHHNYQMFCG-UHFFFAOYSA-K
MW499.23 g/mol
LogP-10.37
Rot. Bonds9

About chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)

chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate) (PubChem CID 173015328) has the molecular formula C12H15CrO18 and a molecular weight of 499.23 g/mol. Its IUPAC name is chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate).

Molecular Properties

Compound Namechromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
PubChem CID173015328
Molecular FormulaC12H15CrO18
Molecular Weight499.23 g/mol
Exact Mass498.97
IUPAC Namechromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
SMILESO=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.[Cr+3]
InChIInChI=1S/3C4H6O6.Cr/c3*5-1(3(7)8)2(6)4(9)10;/h3*1-2,5-6H,(H,7,8)(H,9,10);/q;;;+3/p-3
InChIKeyLGMVZHHNYQMFCG-UHFFFAOYSA-K
XLogP-10.37
TPSA353.67 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500499.23
LogP ≤ 5-10.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

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Related Compounds

(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
CID 6378487
CID 6378487
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
magnesium;sodium;zinc;2,3,4-trihydroxy-4-oxobutanoate;disulfate
CID 172720398

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)?
The IUPAC name of chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate) (CID 173015328) is chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate).
What is the SMILES notation for chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)?
The canonical SMILES for chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate) is O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.[Cr+3].
What is the InChIKey of chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)?
The InChIKey is LGMVZHHNYQMFCG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H6O6.Cr/c3*5-1(3(7)8)2(6)4(9)10;/h3*1-2,5-6H,(H,7,8)(H,9,10);/q;;;+3/p-3.
What are the key properties of chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)?
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate) has a molecular weight of 499.23 g/mol, XLogP of -10.37, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate) is sourced from PubChem (CID 173015328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).