2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten

C6H13NO4W10 — CID 140623793

IUPAC2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
SMILESOCC1NCC(O)C(O)C1O.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13NO4.10W/c8-2-3-5(10)6(11)4(9)1-7-3;;;;;;;;;;/h3-11H,1-2H2;;;;;;;;;;
InChIKeyDLOIDTBIYHCIJB-UHFFFAOYSA-N
MW2001.57 g/mol
LogP-2.99
Rot. Bonds1

About 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten

2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten (PubChem CID 140623793) has the molecular formula C6H13NO4W10 and a molecular weight of 2001.57 g/mol. Its IUPAC name is 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten.

Molecular Properties

Compound Name2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
PubChem CID140623793
Molecular FormulaC6H13NO4W10
Molecular Weight2001.57 g/mol
Exact Mass2002.59
IUPAC Name2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
SMILESOCC1NCC(O)C(O)C1O.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13NO4.10W/c8-2-3-5(10)6(11)4(9)1-7-3;;;;;;;;;;/h3-11H,1-2H2;;;;;;;;;;
InChIKeyDLOIDTBIYHCIJB-UHFFFAOYSA-N
XLogP-2.99
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002001.57
LogP ≤ 5-2.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten?
The IUPAC name of 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten (CID 140623793) is 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten.
What is the SMILES notation for 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten?
The canonical SMILES for 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten is OCC1NCC(O)C(O)C1O.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten?
The InChIKey is DLOIDTBIYHCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.10W/c8-2-3-5(10)6(11)4(9)1-7-3;;;;;;;;;;/h3-11H,1-2H2;;;;;;;;;;.
What are the key properties of 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten?
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten has a molecular weight of 2001.57 g/mol, XLogP of -2.99, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten is sourced from PubChem (CID 140623793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).