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

C6H11O9P-2 — CID 23615358

IUPAC[(2R,3S,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-]
InChIInChI=1S/C6H13O9P/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)/p-2/t4-,5-,6+/m1/s1
InChIKeyGSXOAOHZAIYLCY-PBXRRBTRSA-L
MW258.12 g/mol
LogP-4.52
Rot. Bonds7

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

[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (PubChem CID 23615358) has the molecular formula C6H11O9P-2 and a molecular weight of 258.12 g/mol. Its IUPAC name is [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.

Molecular Properties

Compound Name[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
PubChem CID23615358
Molecular FormulaC6H11O9P-2
Molecular Weight258.12 g/mol
Exact Mass258.02
IUPAC Name[(2R,3S,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-]
InChIInChI=1S/C6H13O9P/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)/p-2/t4-,5-,6+/m1/s1
InChIKeyGSXOAOHZAIYLCY-PBXRRBTRSA-L
XLogP-4.52
TPSA170.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 5-4.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3S,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 [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The IUPAC name of [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (CID 23615358) is [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.
What is the SMILES notation for [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The canonical SMILES for [(2R,3S,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-].
What is the InChIKey of [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The InChIKey is GSXOAOHZAIYLCY-PBXRRBTRSA-L. The full InChI is InChI=1S/C6H13O9P/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)/p-2/t4-,5-,6+/m1/s1.
What are the key properties of [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate has a molecular weight of 258.12 g/mol, XLogP of -4.52, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate is sourced from PubChem (CID 23615358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).