lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate

C6H8LiNaO8 — CID 140580975

IUPAClithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C6H10O8.Li.Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2/t1-,2+,3+,4-;;
InChIKeyOWJPLJXFFICCEM-SXKXKJGMSA-L
MW238.05 g/mol
LogP-12.06
Rot. Bonds5

About lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate

lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate (PubChem CID 140580975) has the molecular formula C6H8LiNaO8 and a molecular weight of 238.05 g/mol. Its IUPAC name is lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate.

Molecular Properties

Compound Namelithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
PubChem CID140580975
Molecular FormulaC6H8LiNaO8
Molecular Weight238.05 g/mol
Exact Mass238.03
IUPAC Namelithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C6H10O8.Li.Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2/t1-,2+,3+,4-;;
InChIKeyOWJPLJXFFICCEM-SXKXKJGMSA-L
XLogP-12.06
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 5-12.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(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
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
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
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The IUPAC name of lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate (CID 140580975) is lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate.
What is the SMILES notation for lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The canonical SMILES for lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate is O=C([O-])[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The InChIKey is OWJPLJXFFICCEM-SXKXKJGMSA-L. The full InChI is InChI=1S/C6H10O8.Li.Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2/t1-,2+,3+,4-;;.
What are the key properties of lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate has a molecular weight of 238.05 g/mol, XLogP of -12.06, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate is sourced from PubChem (CID 140580975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).