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

C6H13NO4 — CID 10197840

IUPAC(3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
SMILESOC[C@H]1CNC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyBHOYFRIRWXBNHP-VRPWFDPXSA-N
MW163.17 g/mol
LogP-2.76
Rot. Bonds1

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

(3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol (PubChem CID 10197840) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
PubChem CID10197840
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
SMILESOC[C@H]1CNC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyBHOYFRIRWXBNHP-VRPWFDPXSA-N
XLogP-2.76
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol?
The IUPAC name of (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol (CID 10197840) is (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol.
What is the SMILES notation for (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol?
The canonical SMILES for (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol is OC[C@H]1CNC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol?
The InChIKey is BHOYFRIRWXBNHP-VRPWFDPXSA-N. The full InChI is InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6?/m1/s1.
What are the key properties of (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol?
(3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol has a molecular weight of 163.17 g/mol, XLogP of -2.76, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol is sourced from PubChem (CID 10197840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).