2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide

C12H23NO5 — CID 22885067

IUPAC2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide
SMILESCO[C@H]1C[C@@H](CO)[C@@H](CC(=O)N(C)C)[C@H](CO)O1
InChIInChI=1S/C12H23NO5/c1-13(2)11(16)5-9-8(6-14)4-12(17-3)18-10(9)7-15/h8-10,12,14-15H,4-7H2,1-3H3/t8-,9+,10-,12+/m0/s1
InChIKeyWIAFKLHDCGCOEM-MIZYBKAJSA-N
MW261.32 g/mol
LogP-0.56
Rot. Bonds5

About 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide

2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide (PubChem CID 22885067) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide
PubChem CID22885067
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide
SMILESCO[C@H]1C[C@@H](CO)[C@@H](CC(=O)N(C)C)[C@H](CO)O1
InChIInChI=1S/C12H23NO5/c1-13(2)11(16)5-9-8(6-14)4-12(17-3)18-10(9)7-15/h8-10,12,14-15H,4-7H2,1-3H3/t8-,9+,10-,12+/m0/s1
InChIKeyWIAFKLHDCGCOEM-MIZYBKAJSA-N
XLogP-0.56
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide
CID 121215909
benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
CID 139440455

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide (CID 22885067) is 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide is CO[C@H]1C[C@@H](CO)[C@@H](CC(=O)N(C)C)[C@H](CO)O1.
What is the InChIKey of 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide?
The InChIKey is WIAFKLHDCGCOEM-MIZYBKAJSA-N. The full InChI is InChI=1S/C12H23NO5/c1-13(2)11(16)5-9-8(6-14)4-12(17-3)18-10(9)7-15/h8-10,12,14-15H,4-7H2,1-3H3/t8-,9+,10-,12+/m0/s1.
What are the key properties of 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide?
2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide has a molecular weight of 261.32 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 22885067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).