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

C35H81NO11Si7 — CID 91726453

IUPACN-[(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
SMILESCC(=O)N[C@@H]1C(OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)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/C35H81NO11Si7/c1-26(38)36-30-34(47-54(20,21)22)32(45-52(14,15)16)28(24-39-48(2,3)4)42-35(30)41-27(23-37)31(44-51(11,12)13)33(46-53(17,18)19)29(43-50(8,9)10)25-40-49(5,6)7/h23,27-35H,24-25H2,1-22H3,(H,36,38)/t27?,28-,29?,30+,31?,32-,33?,34-,35?/m1/s1
InChIKeyWHWFWMDHJSLUBS-BKMRFELUSA-N
MW888.63 g/mol
LogP7.60
Rot. Bonds23

About 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

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 (PubChem CID 91726453) has the molecular formula C35H81NO11Si7 and a molecular weight of 888.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID91726453
Molecular FormulaC35H81NO11Si7
Molecular Weight888.63 g/mol
Exact Mass887.42
IUPAC NameN-[(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
SMILESCC(=O)N[C@@H]1C(OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)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/C35H81NO11Si7/c1-26(38)36-30-34(47-54(20,21)22)32(45-52(14,15)16)28(24-39-48(2,3)4)42-35(30)41-27(23-37)31(44-51(11,12)13)33(46-53(17,18)19)29(43-50(8,9)10)25-40-49(5,6)7/h23,27-35H,24-25H2,1-22H3,(H,36,38)/t27?,28-,29?,30+,31?,32-,33?,34-,35?/m1/s1
InChIKeyWHWFWMDHJSLUBS-BKMRFELUSA-N
XLogP7.60
TPSA129.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.63
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 101280607
(3R,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 91750476
(E,2R,3S,4S,5S)-3-[(2S,3S,4R,5S,6S)-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-N,2,4,5,6-pentakis(trimethylsilyloxy)hexan-1-imine
CID 136661902
1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
CID 612384
(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
CID 22297116
N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine
CID 91754085
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N[C@@H]1C(OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)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-[(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?
The InChIKey is WHWFWMDHJSLUBS-BKMRFELUSA-N. The full InChI is InChI=1S/C35H81NO11Si7/c1-26(38)36-30-34(47-54(20,21)22)32(45-52(14,15)16)28(24-39-48(2,3)4)42-35(30)41-27(23-37)31(44-51(11,12)13)33(46-53(17,18)19)29(43-50(8,9)10)25-40-49(5,6)7/h23,27-35H,24-25H2,1-22H3,(H,36,38)/t27?,28-,29?,30+,31?,32-,33?,34-,35?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 888.63 g/mol, XLogP of 7.60, 23 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91726453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).