dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate

C6H11K2O9P — CID 91872652

IUPACdipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
SMILESO=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h4-7,9-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/t4-,5-,6-;;/m1../s1
InChIKeyZNNOKXMWBAIDBB-CCXTYWFUSA-L
MW336.32 g/mol
LogP-10.52
Rot. Bonds7

About dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate

dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (PubChem CID 91872652) has the molecular formula C6H11K2O9P and a molecular weight of 336.32 g/mol. Its IUPAC name is dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.

Molecular Properties

Compound Namedipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
PubChem CID91872652
Molecular FormulaC6H11K2O9P
Molecular Weight336.32 g/mol
Exact Mass335.94
IUPAC Namedipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
SMILESO=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h4-7,9-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/t4-,5-,6-;;/m1../s1
InChIKeyZNNOKXMWBAIDBB-CCXTYWFUSA-L
XLogP-10.52
TPSA170.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 5-10.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The IUPAC name of dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (CID 91872652) is dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.
What is the SMILES notation for dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The canonical SMILES for dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate is O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The InChIKey is ZNNOKXMWBAIDBB-CCXTYWFUSA-L. The full InChI is InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h4-7,9-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/t4-,5-,6-;;/m1../s1.
What are the key properties of dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate has a molecular weight of 336.32 g/mol, XLogP of -10.52, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate is sourced from PubChem (CID 91872652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).