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

C20H47NO6Si4 — CID 22217470

IUPACN-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C20H47NO6Si4/c1-15(22)21-17-19(26-30(8,9)10)18(25-29(5,6)7)16(14-23-28(2,3)4)24-20(17)27-31(11,12)13/h16-20H,14H2,1-13H3,(H,21,22)/t16-,17-,18+,19-,20+/m1/s1
InChIKeyXJUOQAHPURQCIE-OBKDMQGPSA-N
MW509.94 g/mol
LogP4.36
Rot. Bonds10

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

N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide (PubChem CID 22217470) has the molecular formula C20H47NO6Si4 and a molecular weight of 509.94 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
PubChem CID22217470
Molecular FormulaC20H47NO6Si4
Molecular Weight509.94 g/mol
Exact Mass509.25
IUPAC NameN-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C20H47NO6Si4/c1-15(22)21-17-19(26-30(8,9)10)18(25-29(5,6)7)16(14-23-28(2,3)4)24-20(17)27-31(11,12)13/h16-20H,14H2,1-13H3,(H,21,22)/t16-,17-,18+,19-,20+/m1/s1
InChIKeyXJUOQAHPURQCIE-OBKDMQGPSA-N
XLogP4.36
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.94
LogP ≤ 54.36
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,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
CID 22216013
N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide
CID 22217474
trimethylsilyl 2-[3-acetamido-2,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-3,4-bis(trimethylsilyloxy)-3,4-dihydro-2H-pyran-6-carboxylate
CID 553456
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
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
trimethyl-[[(2R,3R,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 22211662
trimethyl-[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 91747556
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,4S,5R,6S)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]silane
CID 91750456
N-[(2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 23636276
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide (CID 22217470) is N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide?
The InChIKey is XJUOQAHPURQCIE-OBKDMQGPSA-N. The full InChI is InChI=1S/C20H47NO6Si4/c1-15(22)21-17-19(26-30(8,9)10)18(25-29(5,6)7)16(14-23-28(2,3)4)24-20(17)27-31(11,12)13/h16-20H,14H2,1-13H3,(H,21,22)/t16-,17-,18+,19-,20+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide has a molecular weight of 509.94 g/mol, XLogP of 4.36, 10 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)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 22217470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).