N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

C13H23NO6 — CID 166986240

IUPACN-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1COC[C@@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)C1
InChIInChI=1S/C13H23NO6/c1-8(16)14-9-2-12(7-18-6-9)20-13-4-10(17)3-11(5-15)19-13/h9-13,15,17H,2-7H2,1H3,(H,14,16)/t9-,10+,11+,12+,13+/m1/s1
InChIKeyNSFZHEGNULADJD-MOLYVOAJSA-N
MW289.33 g/mol
LogP-0.85
Rot. Bonds4

About N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 166986240) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
PubChem CID166986240
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC NameN-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1COC[C@@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)C1
InChIInChI=1S/C13H23NO6/c1-8(16)14-9-2-12(7-18-6-9)20-13-4-10(17)3-11(5-15)19-13/h9-13,15,17H,2-7H2,1H3,(H,14,16)/t9-,10+,11+,12+,13+/m1/s1
InChIKeyNSFZHEGNULADJD-MOLYVOAJSA-N
XLogP-0.85
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide with MolForge

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Related Compounds

N-[2-hydroxy-5-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986328
N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986247
(2R,3S,4R,6R)-2-[(3R,5S)-5-[(2R,4R,6R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)-3-nitrooxan-4-ol
CID 129103507
(2S,4S,6S)-2-[(3R,4S)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 138512598
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
CID 129199188
N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513
(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol
CID 129103781
2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 123738746
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 166986240) is N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@H]1COC[C@@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)C1.
What is the InChIKey of N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The InChIKey is NSFZHEGNULADJD-MOLYVOAJSA-N. The full InChI is InChI=1S/C13H23NO6/c1-8(16)14-9-2-12(7-18-6-9)20-13-4-10(17)3-11(5-15)19-13/h9-13,15,17H,2-7H2,1H3,(H,14,16)/t9-,10+,11+,12+,13+/m1/s1.
What are the key properties of N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 289.33 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 166986240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).