dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate

C5H6Li2O7 — CID 140580978

IUPACdilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
SMILESO=C([O-])[C@@H](O)C(O)[C@@H](O)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C5H8O7.2Li/c6-1(2(7)4(9)10)3(8)5(11)12;;/h1-3,6-8H,(H,9,10)(H,11,12);;/q;2*+1/p-2/t1?,2-,3+;;
InChIKeyGDWQDAHWVCRHHY-MLFDNCOYSA-L
MW191.98 g/mol
LogP-11.42
Rot. Bonds4

About dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate

dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate (PubChem CID 140580978) has the molecular formula C5H6Li2O7 and a molecular weight of 191.98 g/mol. Its IUPAC name is dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate.

Molecular Properties

Compound Namedilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
PubChem CID140580978
Molecular FormulaC5H6Li2O7
Molecular Weight191.98 g/mol
Exact Mass192.04
IUPAC Namedilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
SMILESO=C([O-])[C@@H](O)C(O)[C@@H](O)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C5H8O7.2Li/c6-1(2(7)4(9)10)3(8)5(11)12;;/h1-3,6-8H,(H,9,10)(H,11,12);;/q;2*+1/p-2/t1?,2-,3+;;
InChIKeyGDWQDAHWVCRHHY-MLFDNCOYSA-L
XLogP-11.42
TPSA140.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 5-11.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11988282
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 5288393
calcium (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 54675058
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
CID 159200130
diazanium;tris((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate);zirconium(4+)
CID 173362529
potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
CID 19073829
2,3-dihydroxybutanedioate
CID 19608871
CID 23686989
CID 23686989
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495

Frequently Asked Questions

What is the IUPAC name of dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate?
The IUPAC name of dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate (CID 140580978) is dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate.
What is the SMILES notation for dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate?
The canonical SMILES for dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate is O=C([O-])[C@@H](O)C(O)[C@@H](O)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate?
The InChIKey is GDWQDAHWVCRHHY-MLFDNCOYSA-L. The full InChI is InChI=1S/C5H8O7.2Li/c6-1(2(7)4(9)10)3(8)5(11)12;;/h1-3,6-8H,(H,9,10)(H,11,12);;/q;2*+1/p-2/t1?,2-,3+;;.
What are the key properties of dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate?
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate has a molecular weight of 191.98 g/mol, XLogP of -11.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate is sourced from PubChem (CID 140580978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).