N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide

C17H39NO5Si3 — CID 22217474

IUPACN-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C17H39NO5Si3/c1-12-15(21-24(3,4)5)16(22-25(6,7)8)14(18-13(2)19)17(20-12)23-26(9,10)11/h12,14-17H,1-11H3,(H,18,19)/t12-,14-,15-,16-,17-/m1/s1
InChIKeyNFZKBAZVQGFIMV-LMHBHQSJSA-N
MW421.76 g/mol
LogP3.53
Rot. Bonds7

About N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide (PubChem CID 22217474) has the molecular formula C17H39NO5Si3 and a molecular weight of 421.76 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide
PubChem CID22217474
Molecular FormulaC17H39NO5Si3
Molecular Weight421.76 g/mol
Exact Mass421.21
IUPAC NameN-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C17H39NO5Si3/c1-12-15(21-24(3,4)5)16(22-25(6,7)8)14(18-13(2)19)17(20-12)23-26(9,10)11/h12,14-17H,1-11H3,(H,18,19)/t12-,14-,15-,16-,17-/m1/s1
InChIKeyNFZKBAZVQGFIMV-LMHBHQSJSA-N
XLogP3.53
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
CID 22217470
N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
CID 22216013
N-[(2S,3R,4R,5R,6S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]acetamide
CID 70005624
N-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]acetamide
CID 57012935
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519
N-[(2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 23636276
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
N-[(3S,4R,5R,6R)-2-[1-oxo-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
CID 91726453
N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
CID 91846690
N-[(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-(1,3-dihydroxypropan-2-yloxy)-5-hydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
CID 171123275
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
N-[(2R,5S)-2-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58741227

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide (CID 22217474) is N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide?
The InChIKey is NFZKBAZVQGFIMV-LMHBHQSJSA-N. The full InChI is InChI=1S/C17H39NO5Si3/c1-12-15(21-24(3,4)5)16(22-25(6,7)8)14(18-13(2)19)17(20-12)23-26(9,10)11/h12,14-17H,1-11H3,(H,18,19)/t12-,14-,15-,16-,17-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide has a molecular weight of 421.76 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide is sourced from PubChem (CID 22217474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).