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

C7H15NO5 — CID 6475030

IUPAC(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyCLVUFWXGNIFGNC-ZXXMMSQZSA-N
MW193.20 g/mol
LogP-3.61
Rot. Bonds2

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

(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 6475030) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID6475030
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyCLVUFWXGNIFGNC-ZXXMMSQZSA-N
XLogP-3.61
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol (CID 6475030) is (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol is OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O.
What is the InChIKey of (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is CLVUFWXGNIFGNC-ZXXMMSQZSA-N. The full InChI is InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -3.61, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 6475030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).