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

C26H51NO7 — CID 91160205

IUPACN-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H51NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29)27-18-19-33-26-25(32)24(31)23(30)21(20-28)34-26/h21,23-26,28,30-32H,2-20H2,1H3,(H,27,29)/t21-,23+,24+,25-,26?/m1/s1
InChIKeyHRTYFECXABFHQW-JEUGGWAQSA-N
MW489.69 g/mol
LogP3.18
Rot. Bonds21

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

N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide (PubChem CID 91160205) has the molecular formula C26H51NO7 and a molecular weight of 489.69 g/mol. Its IUPAC name is N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
PubChem CID91160205
Molecular FormulaC26H51NO7
Molecular Weight489.69 g/mol
Exact Mass489.37
IUPAC NameN-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H51NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29)27-18-19-33-26-25(32)24(31)23(30)21(20-28)34-26/h21,23-26,28,30-32H,2-20H2,1H3,(H,27,29)/t21-,23+,24+,25-,26?/m1/s1
InChIKeyHRTYFECXABFHQW-JEUGGWAQSA-N
XLogP3.18
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 53.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide with MolForge

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Related Compounds

N-[2-[2-[2-[2-[2-oxo-2-[2-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentacosanamide
CID 71571685
16-sulfanyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]hexadecanamide
CID 102511617
N-[4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutyl]hexadecanamide
CID 100939598
N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide
CID 144823202
N-octyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
CID 102322034
4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-heptylbutanamide
CID 130196068
N-(2-aminoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 10664588
N-[2-[2-[2-[2-oxo-2-[2-[2-[2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 66575614
N-butyl-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide
CID 121274349
N-[3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxypropyl]octanamide
CID 101447673
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 90664187
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 101334752

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide?
The IUPAC name of N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide (CID 91160205) is N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide.
What is the SMILES notation for N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide?
The canonical SMILES for N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide?
The InChIKey is HRTYFECXABFHQW-JEUGGWAQSA-N. The full InChI is InChI=1S/C26H51NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29)27-18-19-33-26-25(32)24(31)23(30)21(20-28)34-26/h21,23-26,28,30-32H,2-20H2,1H3,(H,27,29)/t21-,23+,24+,25-,26?/m1/s1.
What are the key properties of N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide?
N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide has a molecular weight of 489.69 g/mol, XLogP of 3.18, 21 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide is sourced from PubChem (CID 91160205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).