(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol

C20H43NO5 — CID 154326806

IUPAC(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCCNC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17(23)19(25)20(26)18(24)16-22/h17-26H,2-16H2,1H3/t17-,18-,19-,20-/m1/s1
InChIKeyDUFSGYCSMINLKL-UAFMIMERSA-N
MW377.57 g/mol
LogP1.71
Rot. Bonds19

About (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol

(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol (PubChem CID 154326806) has the molecular formula C20H43NO5 and a molecular weight of 377.57 g/mol. Its IUPAC name is (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
PubChem CID154326806
Molecular FormulaC20H43NO5
Molecular Weight377.57 g/mol
Exact Mass377.31
IUPAC Name(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCCNC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17(23)19(25)20(26)18(24)16-22/h17-26H,2-16H2,1H3/t17-,18-,19-,20-/m1/s1
InChIKeyDUFSGYCSMINLKL-UAFMIMERSA-N
XLogP1.71
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 51.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol (CID 154326806) is (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol is CCCCCCCCCCCCCCNC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is DUFSGYCSMINLKL-UAFMIMERSA-N. The full InChI is InChI=1S/C20H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17(23)19(25)20(26)18(24)16-22/h17-26H,2-16H2,1H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 377.57 g/mol, XLogP of 1.71, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 154326806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).