(4S,5R)-piperidine-3,3,4,5-tetrol

C5H11NO4 — CID 55287322

IUPAC(4S,5R)-piperidine-3,3,4,5-tetrol
SMILESO[C@@H]1CNCC(O)(O)[C@H]1O
InChIInChI=1S/C5H11NO4/c7-3-1-6-2-5(9,10)4(3)8/h3-4,6-10H,1-2H2/t3-,4+/m1/s1
InChIKeyRLSAGAJZOLWEII-DMTCNVIQSA-N
MW149.15 g/mol
LogP-3.01
Rot. Bonds

About (4S,5R)-piperidine-3,3,4,5-tetrol

(4S,5R)-piperidine-3,3,4,5-tetrol (PubChem CID 55287322) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (4S,5R)-piperidine-3,3,4,5-tetrol.

Molecular Properties

Compound Name(4S,5R)-piperidine-3,3,4,5-tetrol
PubChem CID55287322
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(4S,5R)-piperidine-3,3,4,5-tetrol
SMILESO[C@@H]1CNCC(O)(O)[C@H]1O
InChIInChI=1S/C5H11NO4/c7-3-1-6-2-5(9,10)4(3)8/h3-4,6-10H,1-2H2/t3-,4+/m1/s1
InChIKeyRLSAGAJZOLWEII-DMTCNVIQSA-N
XLogP-3.01
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-piperidine-3,3,4,5-tetrol?
The IUPAC name of (4S,5R)-piperidine-3,3,4,5-tetrol (CID 55287322) is (4S,5R)-piperidine-3,3,4,5-tetrol.
What is the SMILES notation for (4S,5R)-piperidine-3,3,4,5-tetrol?
The canonical SMILES for (4S,5R)-piperidine-3,3,4,5-tetrol is O[C@@H]1CNCC(O)(O)[C@H]1O.
What is the InChIKey of (4S,5R)-piperidine-3,3,4,5-tetrol?
The InChIKey is RLSAGAJZOLWEII-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H11NO4/c7-3-1-6-2-5(9,10)4(3)8/h3-4,6-10H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (4S,5R)-piperidine-3,3,4,5-tetrol?
(4S,5R)-piperidine-3,3,4,5-tetrol has a molecular weight of 149.15 g/mol, XLogP of -3.01, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-piperidine-3,3,4,5-tetrol is sourced from PubChem (CID 55287322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).