N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide

C14H29NO6Si — CID 22216013

IUPACN-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
SMILESCOC[C@H]1O[C@H](OC)[C@H](NC(C)=O)[C@@H](OC)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C14H29NO6Si/c1-9(16)15-11-13(18-3)12(21-22(5,6)7)10(8-17-2)20-14(11)19-4/h10-14H,8H2,1-7H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyWYIXVIWOVILFPU-KSTCHIGDSA-N
MW335.47 g/mol
LogP0.74
Rot. Bonds7

About N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide (PubChem CID 22216013) has the molecular formula C14H29NO6Si and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
PubChem CID22216013
Molecular FormulaC14H29NO6Si
Molecular Weight335.47 g/mol
Exact Mass335.18
IUPAC NameN-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
SMILESCOC[C@H]1O[C@H](OC)[C@H](NC(C)=O)[C@@H](OC)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C14H29NO6Si/c1-9(16)15-11-13(18-3)12(21-22(5,6)7)10(8-17-2)20-14(11)19-4/h10-14H,8H2,1-7H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyWYIXVIWOVILFPU-KSTCHIGDSA-N
XLogP0.74
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134
[(2R,3R,4R,5R,6R)-5-acetamido-6-acetyloxy-4-methoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 102239937
N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
CID 22217470
[(2R,3R,4R,5R)-4,5-dimethoxy-2-(methoxymethyl)-6-trimethylsilyloxyoxan-3-yl]oxy-trimethylsilane
CID 22214938
[(2R,3R,4S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 1286720
[(2S,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 7111644
[(3R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 134833389
[(2R,3R,4R,5R,6R,7R)-6-acetamido-3,4,5-triacetyloxy-7-methoxyoxepan-2-yl]methyl acetate
CID 102422064
[(2R,3R,4S,5R,6S)-2-(methoxymethyl)-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 22294600
N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
CID 22214877
[(2R,3S,4R,5R,6R)-4,5-diacetamido-3-acetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 22215456
N-[(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-yl]acetamide
CID 146018819

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide (CID 22216013) is N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide is COC[C@H]1O[C@H](OC)[C@H](NC(C)=O)[C@@H](OC)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide?
The InChIKey is WYIXVIWOVILFPU-KSTCHIGDSA-N. The full InChI is InChI=1S/C14H29NO6Si/c1-9(16)15-11-13(18-3)12(21-22(5,6)7)10(8-17-2)20-14(11)19-4/h10-14H,8H2,1-7H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 0.74, 7 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)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide is sourced from PubChem (CID 22216013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).