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

C13H23NO7 — CID 166986247

IUPACN-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)COC1O
InChIInChI=1S/C13H23NO7/c1-7(16)14-11-4-10(6-19-13(11)18)21-12-3-8(17)2-9(5-15)20-12/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11+,12-,13?/m0/s1
InChIKeyLZERFQALZVERAS-MWQVRRCJSA-N
MW305.33 g/mol
LogP-1.53
Rot. Bonds4

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

N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 166986247) has the molecular formula C13H23NO7 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
PubChem CID166986247
Molecular FormulaC13H23NO7
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC NameN-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)COC1O
InChIInChI=1S/C13H23NO7/c1-7(16)14-11-4-10(6-19-13(11)18)21-12-3-8(17)2-9(5-15)20-12/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11+,12-,13?/m0/s1
InChIKeyLZERFQALZVERAS-MWQVRRCJSA-N
XLogP-1.53
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(3R,5S)-2-hydroxy-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)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986240
(2S,4S,6S)-2-[(3R,4S)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 138512598
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
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-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372
ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane
CID 157191090
2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
CID 177228872
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 166986247) is N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1C[C@H](O[C@H]2C[C@@H](O)C[C@@H](CO)O2)COC1O.
What is the InChIKey of N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The InChIKey is LZERFQALZVERAS-MWQVRRCJSA-N. The full InChI is InChI=1S/C13H23NO7/c1-7(16)14-11-4-10(6-19-13(11)18)21-12-3-8(17)2-9(5-15)20-12/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11+,12-,13?/m0/s1.
What are the key properties of N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 305.33 g/mol, XLogP of -1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 166986247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).