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

C32H69NO11Si6 — CID 553456

IUPACtrimethylsilyl 2-[3-acetamido-2,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-3,4-bis(trimethylsilyloxy)-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCC(=O)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C32H69NO11Si6/c1-22(34)33-26-29(27(41-47(8,9)10)25(21-36-45(2,3)4)38-31(26)44-50(17,18)19)39-32-28(42-48(11,12)13)23(40-46(5,6)7)20-24(37-32)30(35)43-49(14,15)16/h20,23,25-29,31-32H,21H2,1-19H3,(H,33,34)
InChIKeySWNJOCYLDHZZBH-UHFFFAOYSA-N
MW812.42 g/mol
LogP6.58
Rot. Bonds16

About 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

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 (PubChem CID 553456) has the molecular formula C32H69NO11Si6 and a molecular weight of 812.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethylsilyl 2-[3-acetamido-2,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-3,4-bis(trimethylsilyloxy)-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID553456
Molecular FormulaC32H69NO11Si6
Molecular Weight812.42 g/mol
Exact Mass811.35
IUPAC Nametrimethylsilyl 2-[3-acetamido-2,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-3,4-bis(trimethylsilyloxy)-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCC(=O)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C32H69NO11Si6/c1-22(34)33-26-29(27(41-47(8,9)10)25(21-36-45(2,3)4)38-31(26)44-50(17,18)19)39-32-28(42-48(11,12)13)23(40-46(5,6)7)20-24(37-32)30(35)43-49(14,15)16/h20,23,25-29,31-32H,21H2,1-19H3,(H,33,34)
InChIKeySWNJOCYLDHZZBH-UHFFFAOYSA-N
XLogP6.58
TPSA129.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.42
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 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
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
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
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
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
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
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
[(2R,3S,4S,5S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
CID 71299525
(2R,3R,4S)-2-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 10280407
(2S,3R,4S)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 100956918
(2S,3R,4S)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 98465644

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 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?
The InChIKey is SWNJOCYLDHZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H69NO11Si6/c1-22(34)33-26-29(27(41-47(8,9)10)25(21-36-45(2,3)4)38-31(26)44-50(17,18)19)39-32-28(42-48(11,12)13)23(40-46(5,6)7)20-24(37-32)30(35)43-49(14,15)16/h20,23,25-29,31-32H,21H2,1-19H3,(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 812.42 g/mol, XLogP of 6.58, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 553456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).