(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol

C11H22NO5+ — CID 6994798

IUPAC(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1O[C@](O)(C[NH+]2CCCCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO5/c13-6-8-9(14)10(15)11(16,17-8)7-12-4-2-1-3-5-12/h8-10,13-16H,1-7H2/p+1/t8-,9+,10+,11+/m0/s1
InChIKeyBVMWEJIZXVVALO-LNFKQOIKSA-O
MW248.30 g/mol
LogP-3.14
Rot. Bonds3

About (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol

(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol (PubChem CID 6994798) has the molecular formula C11H22NO5+ and a molecular weight of 248.30 g/mol. Its IUPAC name is (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol
PubChem CID6994798
Molecular FormulaC11H22NO5+
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1O[C@](O)(C[NH+]2CCCCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO5/c13-6-8-9(14)10(15)11(16,17-8)7-12-4-2-1-3-5-12/h8-10,13-16H,1-7H2/p+1/t8-,9+,10+,11+/m0/s1
InChIKeyBVMWEJIZXVVALO-LNFKQOIKSA-O
XLogP-3.14
TPSA94.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-3.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol (CID 6994798) is (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol is OC[C@@H]1O[C@](O)(C[NH+]2CCCCC2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol?
The InChIKey is BVMWEJIZXVVALO-LNFKQOIKSA-O. The full InChI is InChI=1S/C11H21NO5/c13-6-8-9(14)10(15)11(16,17-8)7-12-4-2-1-3-5-12/h8-10,13-16H,1-7H2/p+1/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol?
(2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol has a molecular weight of 248.30 g/mol, XLogP of -3.14, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-5-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 6994798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).