N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide

C20H39NO6 — CID 15115050

IUPACN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)21-20-19(26)18(25)17(24)15(14-22)27-20/h15,17-20,22,24-26H,2-14H2,1H3,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1
InChIKeyYQXCGXJUJKPUTO-XIKSMUEASA-N
MW389.53 g/mol
LogP1.60
Rot. Bonds14

About N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide

N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide (PubChem CID 15115050) has the molecular formula C20H39NO6 and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
PubChem CID15115050
Molecular FormulaC20H39NO6
Molecular Weight389.53 g/mol
Exact Mass389.28
IUPAC NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)21-20-19(26)18(25)17(24)15(14-22)27-20/h15,17-20,22,24-26H,2-14H2,1H3,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1
InChIKeyYQXCGXJUJKPUTO-XIKSMUEASA-N
XLogP1.60
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.60
H-Bond Donors ≤ 55
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 N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide?
The IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide (CID 15115050) is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide?
The InChIKey is YQXCGXJUJKPUTO-XIKSMUEASA-N. The full InChI is InChI=1S/C20H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)21-20-19(26)18(25)17(24)15(14-22)27-20/h15,17-20,22,24-26H,2-14H2,1H3,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide?
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide has a molecular weight of 389.53 g/mol, XLogP of 1.60, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide is sourced from PubChem (CID 15115050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).