potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate

C6H14KNO9S — CID 25020353

About potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate

potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate (PubChem CID 25020353) has the molecular formula C6H14KNO9S and a molecular weight of 315.34 g/mol. Its IUPAC name is potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate.

Molecular Properties

• Compound Name: potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate
• PubChem CID: 25020353
• Molecular Formula: C6H14KNO9S
• Molecular Weight: 315.34 g/mol
• Exact Mass: 315.00
• IUPAC Name: potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate
• SMILES: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=S(=O)([O-])O.[K+]
• InChI: InChI=1S/C6H13NO5.K.H2O4S/c7-3-5(10)4(9)2(1-8)12-6(3)11;;1-5(2,3)4/h2-6,8-11H,1,7H2;;(H2,1,2,3,4)/q;+1;/p-1/t2-,3-,4-,5-,6-;;/m1../s1
• InChIKey: HREMULIJDCVGBM-YOAZZGITSA-M
• XLogP: -7.25
• TPSA: 193.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	315.34
LogP ≤ 5	-7.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate?

The IUPAC name of potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate (CID 25020353) is potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate.

What is the SMILES notation for potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate?

The canonical SMILES for potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=S(=O)([O-])O.[K+].

What is the InChIKey of potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate?

The InChIKey is HREMULIJDCVGBM-YOAZZGITSA-M. The full InChI is InChI=1S/C6H13NO5.K.H2O4S/c7-3-5(10)4(9)2(1-8)12-6(3)11;;1-5(2,3)4/h2-6,8-11H,1,7H2;;(H2,1,2,3,4)/q;+1;/p-1/t2-,3-,4-,5-,6-;;/m1../s1.

What are the key properties of potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate?

potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate has a molecular weight of 315.34 g/mol, XLogP of -7.25, 1 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate is sourced from PubChem (CID 25020353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).