(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten

C6H13NO3W6 — CID 59014492

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
SMILESCN1C[C@@H](O)[C@H](O)[C@H]1CO.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13NO3.6W/c1-7-2-5(9)6(10)4(7)3-8;;;;;;/h4-6,8-10H,2-3H2,1H3;;;;;;/t4-,5-,6-;;;;;;/m1....../s1
InChIKeyJSYJQVVXRGBMLH-MRSCIQKMSA-N
MW1250.21 g/mol
LogP-2.00
Rot. Bonds1

About (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten

(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten (PubChem CID 59014492) has the molecular formula C6H13NO3W6 and a molecular weight of 1250.21 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
PubChem CID59014492
Molecular FormulaC6H13NO3W6
Molecular Weight1250.21 g/mol
Exact Mass1250.80
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
SMILESCN1C[C@@H](O)[C@H](O)[C@H]1CO.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13NO3.6W/c1-7-2-5(9)6(10)4(7)3-8;;;;;;/h4-6,8-10H,2-3H2,1H3;;;;;;/t4-,5-,6-;;;;;;/m1....../s1
InChIKeyJSYJQVVXRGBMLH-MRSCIQKMSA-N
XLogP-2.00
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001250.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten (CID 59014492) is (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten is CN1C[C@@H](O)[C@H](O)[C@H]1CO.[W].[W].[W].[W].[W].[W].
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten?
The InChIKey is JSYJQVVXRGBMLH-MRSCIQKMSA-N. The full InChI is InChI=1S/C6H13NO3.6W/c1-7-2-5(9)6(10)4(7)3-8;;;;;;/h4-6,8-10H,2-3H2,1H3;;;;;;/t4-,5-,6-;;;;;;/m1....../s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten?
(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten has a molecular weight of 1250.21 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten is sourced from PubChem (CID 59014492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).