potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate

C6H9KO8 — CID 23674495

IUPACpotassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[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/t1-,2-,3-,4+;/m0./s1
InChIKeyUBYZGUWQNIEQMH-SBBOJQDXSA-M
MW248.23 g/mol
LogP-7.73
Rot. Bonds5

About potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate

potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate (PubChem CID 23674495) has the molecular formula C6H9KO8 and a molecular weight of 248.23 g/mol. Its IUPAC name is potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate.

Molecular Properties

Compound Namepotassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
PubChem CID23674495
Molecular FormulaC6H9KO8
Molecular Weight248.23 g/mol
Exact Mass247.99
IUPAC Namepotassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[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/t1-,2-,3-,4+;/m0./s1
InChIKeyUBYZGUWQNIEQMH-SBBOJQDXSA-M
XLogP-7.73
TPSA158.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-7.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate with MolForge

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Related Compounds

potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
CID 19073829
(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
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
CID 159200130
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
CID 23686989
CID 23686989
diazanium;bis((2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxoheptanoic acid
CID 159377313
potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)
CID 161254987

Frequently Asked Questions

What is the IUPAC name of potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate?
The IUPAC name of potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate (CID 23674495) is potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate.
What is the SMILES notation for potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate?
The canonical SMILES for potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate is O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[K+].
What is the InChIKey of potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate?
The InChIKey is UBYZGUWQNIEQMH-SBBOJQDXSA-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/t1-,2-,3-,4+;/m0./s1.
What are the key properties of potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate?
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate has a molecular weight of 248.23 g/mol, XLogP of -7.73, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate is sourced from PubChem (CID 23674495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).