(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol

C19H39NO4 — CID 71698149

IUPAC(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol
SMILESCCCCCCCCCCC[C@@H](O)C[C@@H]1C[C@@H](O)[C@H](O)[C@H](CO)N1
InChIInChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-16(22)12-15-13-18(23)19(24)17(14-21)20-15/h15-24H,2-14H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyPEMMQZWMTJRCAR-UJWQCDCRSA-N
MW345.52 g/mol
LogP2.10
Rot. Bonds13

About (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol

(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol (PubChem CID 71698149) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol
PubChem CID71698149
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Name(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol
SMILESCCCCCCCCCCC[C@@H](O)C[C@@H]1C[C@@H](O)[C@H](O)[C@H](CO)N1
InChIInChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-16(22)12-15-13-18(23)19(24)17(14-21)20-15/h15-24H,2-14H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyPEMMQZWMTJRCAR-UJWQCDCRSA-N
XLogP2.10
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 53316565
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nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400
icosan-9-ol
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icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol?
The IUPAC name of (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol (CID 71698149) is (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol?
The canonical SMILES for (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol is CCCCCCCCCCC[C@@H](O)C[C@@H]1C[C@@H](O)[C@H](O)[C@H](CO)N1.
What is the InChIKey of (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol?
The InChIKey is PEMMQZWMTJRCAR-UJWQCDCRSA-N. The full InChI is InChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-16(22)12-15-13-18(23)19(24)17(14-21)20-15/h15-24H,2-14H2,1H3/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol?
(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol has a molecular weight of 345.52 g/mol, XLogP of 2.10, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol is sourced from PubChem (CID 71698149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).