N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide

C23H37NO6Si — CID 11270899

IUPACN-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](NC(C)=O)[C@@H](OC)O[C@@H]1CC=O
InChIInChI=1S/C23H37NO6Si/c1-6-31(7-2,8-3)30-21-19(14-15-25)29-23(27-5)20(24-17(4)26)22(21)28-16-18-12-10-9-11-13-18/h9-13,15,19-23H,6-8,14,16H2,1-5H3,(H,24,26)/t19-,20-,21+,22-,23+/m1/s1
InChIKeyVGXCHRYWHCHJES-ZQGJOIPISA-N
MW451.64 g/mol
LogP3.43
Rot. Bonds12

About N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide (PubChem CID 11270899) has the molecular formula C23H37NO6Si and a molecular weight of 451.64 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide
PubChem CID11270899
Molecular FormulaC23H37NO6Si
Molecular Weight451.64 g/mol
Exact Mass451.24
IUPAC NameN-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](NC(C)=O)[C@@H](OC)O[C@@H]1CC=O
InChIInChI=1S/C23H37NO6Si/c1-6-31(7-2,8-3)30-21-19(14-15-25)29-23(27-5)20(24-17(4)26)22(21)28-16-18-12-10-9-11-13-18/h9-13,15,19-23H,6-8,14,16H2,1-5H3,(H,24,26)/t19-,20-,21+,22-,23+/m1/s1
InChIKeyVGXCHRYWHCHJES-ZQGJOIPISA-N
XLogP3.43
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 11200838
[(2S,3S,4S,5S,6S)-3-acetamido-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11155323
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxan-3-yl]acetamide
CID 101185167
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] benzoate
CID 91699496
[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 101147265
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 14860180
[(2R,3S,4R,5R,6R)-5-acetamido-3-acetyloxy-4,6-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 131698609
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326
N-[(2S,4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91612903

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide (CID 11270899) is N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide is CC[Si](CC)(CC)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](NC(C)=O)[C@@H](OC)O[C@@H]1CC=O.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide?
The InChIKey is VGXCHRYWHCHJES-ZQGJOIPISA-N. The full InChI is InChI=1S/C23H37NO6Si/c1-6-31(7-2,8-3)30-21-19(14-15-25)29-23(27-5)20(24-17(4)26)22(21)28-16-18-12-10-9-11-13-18/h9-13,15,19-23H,6-8,14,16H2,1-5H3,(H,24,26)/t19-,20-,21+,22-,23+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide has a molecular weight of 451.64 g/mol, XLogP of 3.43, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide is sourced from PubChem (CID 11270899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).