potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol

C12H23KO9 — CID 177228869

IUPACpotassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OCCC(O)C1O.[K+].[O-][C@@H]1CC(O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H11O5.C6H12O4.K/c7-2-4-6(10)3(8)1-5(9)11-4;7-3-5-6(9)4(8)1-2-10-5;/h3-8,10H,1-2H2;4-9H,1-3H2;/q-1;;+1/t3?,4-,5+,6+;4?,5-,6?;/m11./s1
InChIKeyRAUSJHJGIVCDKE-PEJLEIOVSA-N
MW350.41 g/mol
LogP-7.33
Rot. Bonds2

About potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol

potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 177228869) has the molecular formula C12H23KO9 and a molecular weight of 350.41 g/mol. Its IUPAC name is potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Namepotassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID177228869
Molecular FormulaC12H23KO9
Molecular Weight350.41 g/mol
Exact Mass350.10
IUPAC Namepotassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OCCC(O)C1O.[K+].[O-][C@@H]1CC(O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H11O5.C6H12O4.K/c7-2-4-6(10)3(8)1-5(9)11-4;7-3-5-6(9)4(8)1-2-10-5;/h3-8,10H,1-2H2;4-9H,1-3H2;/q-1;;+1/t3?,4-,5+,6+;4?,5-,6?;/m11./s1
InChIKeyRAUSJHJGIVCDKE-PEJLEIOVSA-N
XLogP-7.33
TPSA162.90 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 5-7.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018788
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792

Frequently Asked Questions

What is the IUPAC name of potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol (CID 177228869) is potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OCCC(O)C1O.[K+].[O-][C@@H]1CC(O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is RAUSJHJGIVCDKE-PEJLEIOVSA-N. The full InChI is InChI=1S/C6H11O5.C6H12O4.K/c7-2-4-6(10)3(8)1-5(9)11-4;7-3-5-6(9)4(8)1-2-10-5;/h3-8,10H,1-2H2;4-9H,1-3H2;/q-1;;+1/t3?,4-,5+,6+;4?,5-,6?;/m11./s1.
What are the key properties of potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 350.41 g/mol, XLogP of -7.33, 2 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 177228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).