potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate

C6H12KO9P — CID 171320667

IUPACpotassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate
SMILESO=CC(O)C(O)C(O)C(O)COP(=O)([O-])O.[K+]
InChIInChI=1S/C6H13O9P.K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);/q;+1/p-1
InChIKeyGYYVAXGNABGNGI-UHFFFAOYSA-M
MW298.23 g/mol
LogP-6.89
Rot. Bonds7

About potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate

potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate (PubChem CID 171320667) has the molecular formula C6H12KO9P and a molecular weight of 298.23 g/mol. Its IUPAC name is potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate.

Molecular Properties

Compound Namepotassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate
PubChem CID171320667
Molecular FormulaC6H12KO9P
Molecular Weight298.23 g/mol
Exact Mass297.99
IUPAC Namepotassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate
SMILESO=CC(O)C(O)C(O)C(O)COP(=O)([O-])O.[K+]
InChIInChI=1S/C6H13O9P.K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);/q;+1/p-1
InChIKeyGYYVAXGNABGNGI-UHFFFAOYSA-M
XLogP-6.89
TPSA167.58 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 5-6.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate?
The IUPAC name of potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate (CID 171320667) is potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate.
What is the SMILES notation for potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate?
The canonical SMILES for potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate is O=CC(O)C(O)C(O)C(O)COP(=O)([O-])O.[K+].
What is the InChIKey of potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate?
The InChIKey is GYYVAXGNABGNGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13O9P.K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);/q;+1/p-1.
What are the key properties of potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate?
potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate has a molecular weight of 298.23 g/mol, XLogP of -6.89, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen phosphate is sourced from PubChem (CID 171320667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).