potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate

C6H9KO8 — CID 19073829

IUPACpotassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])C(O)C(O)C(O)C(O)C(=O)[O-].[H+].[K+]
InChIInChI=1S/C6H10O8.K/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;+1/p-1
InChIKeyUBYZGUWQNIEQMH-UHFFFAOYSA-M
MW248.23 g/mol
LogP-8.95
Rot. Bonds5

About potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate

potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate (PubChem CID 19073829) has the molecular formula C6H9KO8 and a molecular weight of 248.23 g/mol. Its IUPAC name is potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate.

Molecular Properties

Compound Namepotassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
PubChem CID19073829
Molecular FormulaC6H9KO8
Molecular Weight248.23 g/mol
Exact Mass247.99
IUPAC Namepotassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])C(O)C(O)C(O)C(O)C(=O)[O-].[H+].[K+]
InChIInChI=1S/C6H10O8.K/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;+1/p-1
InChIKeyUBYZGUWQNIEQMH-UHFFFAOYSA-M
XLogP-8.95
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-8.95
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
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
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
diazanium;tris((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate);zirconium(4+)
CID 173362529
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017

Frequently Asked Questions

What is the IUPAC name of potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate?
The IUPAC name of potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate (CID 19073829) is potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate.
What is the SMILES notation for potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate?
The canonical SMILES for potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate is O=C([O-])C(O)C(O)C(O)C(O)C(=O)[O-].[H+].[K+].
What is the InChIKey of potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate?
The InChIKey is UBYZGUWQNIEQMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O8.K/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;+1/p-1.
What are the key properties of potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate?
potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate has a molecular weight of 248.23 g/mol, XLogP of -8.95, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate is sourced from PubChem (CID 19073829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).