(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol

C14H29NO5 — CID 72702304

IUPAC(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol
SMILESCCCCCCOC[C@H](O)C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H29NO5/c1-2-3-4-5-6-20-9-10(16)7-11-13(18)14(19)12(17)8-15-11/h10-19H,2-9H2,1H3/t10-,11-,12-,13+,14+/m1/s1
InChIKeySDFIGJSZLOODKO-POQQGIQPSA-N
MW291.39 g/mol
LogP-0.61
Rot. Bonds9

About (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol

(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol (PubChem CID 72702304) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol
PubChem CID72702304
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol
SMILESCCCCCCOC[C@H](O)C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H29NO5/c1-2-3-4-5-6-20-9-10(16)7-11-13(18)14(19)12(17)8-15-11/h10-19H,2-9H2,1H3/t10-,11-,12-,13+,14+/m1/s1
InChIKeySDFIGJSZLOODKO-POQQGIQPSA-N
XLogP-0.61
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol with MolForge

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Related Compounds

Deoxynojirimycin
CID 29435
Migalastat
CID 176077
2-(Hydroxymethyl)piperidine-3,4,5-triol
CID 1374
1-Deoxymannojirimycin
CID 72258
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
CID 159496
Alpha-7-Deoxyhomonojirimycin
CID 10921056
Piperidines
CID 44237242
Carboxypeptidase A
CID 44395719
(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 11009466
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 11150434
(+)-5-Deoxyadeenophorine
CID 10559165
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475030

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol (CID 72702304) is (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol is CCCCCCOC[C@H](O)C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol?
The InChIKey is SDFIGJSZLOODKO-POQQGIQPSA-N. The full InChI is InChI=1S/C14H29NO5/c1-2-3-4-5-6-20-9-10(16)7-11-13(18)14(19)12(17)8-15-11/h10-19H,2-9H2,1H3/t10-,11-,12-,13+,14+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol has a molecular weight of 291.39 g/mol, XLogP of -0.61, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(2R)-3-hexoxy-2-hydroxypropyl]piperidine-3,4,5-triol is sourced from PubChem (CID 72702304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).