(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol

C8H17NO5 — CID 6477160

IUPAC(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
SMILESCN1[C@H](CO)[C@H](O)C(O)[C@H](O)[C@H]1CO
InChIInChI=1S/C8H17NO5/c1-9-4(2-10)6(12)8(14)7(13)5(9)3-11/h4-8,10-14H,2-3H2,1H3/t4-,5-,6-,7+,8?/m1/s1
InChIKeyCVSZHOAOIZMVHV-IYWGXSQHSA-N
MW207.23 g/mol
LogP-3.26
Rot. Bonds2

About (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol

(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol (PubChem CID 6477160) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
PubChem CID6477160
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
SMILESCN1[C@H](CO)[C@H](O)C(O)[C@H](O)[C@H]1CO
InChIInChI=1S/C8H17NO5/c1-9-4(2-10)6(12)8(14)7(13)5(9)3-11/h4-8,10-14H,2-3H2,1H3/t4-,5-,6-,7+,8?/m1/s1
InChIKeyCVSZHOAOIZMVHV-IYWGXSQHSA-N
XLogP-3.26
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol (CID 6477160) is (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol is CN1[C@H](CO)[C@H](O)C(O)[C@H](O)[C@H]1CO.
What is the InChIKey of (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The InChIKey is CVSZHOAOIZMVHV-IYWGXSQHSA-N. The full InChI is InChI=1S/C8H17NO5/c1-9-4(2-10)6(12)8(14)7(13)5(9)3-11/h4-8,10-14H,2-3H2,1H3/t4-,5-,6-,7+,8?/m1/s1.
What are the key properties of (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol has a molecular weight of 207.23 g/mol, XLogP of -3.26, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 6477160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).