trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate

C21H50O7Si5 — CID 22214291

IUPACtrimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3/t16-,17-,18-,19+,21+/m0/s1
InChIKeyZJKACRRFXMWHBG-VDRZXAFZSA-N
MW555.05 g/mol
LogP5.60
Rot. Bonds10

About trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate

trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 22214291) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID22214291
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Nametrimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3/t16-,17-,18-,19+,21+/m0/s1
InChIKeyZJKACRRFXMWHBG-VDRZXAFZSA-N
XLogP5.60
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate with MolForge

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Related Compounds

trimethylsilyl 6-[(2S)-butan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
CID 91752388
bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
CID 22214343
trimethyl-[(2S,3R,4R,5S,6R)-2-methyl-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxysilane
CID 22211899
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)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 11038830
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,3R,4S,5R,6S)-2-(methoxymethyl)-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 22294600
[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
CID 135021954
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
[(2R,3S,4R,5R)-3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]methanamine
CID 141476916
bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
CID 553088

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate (CID 22214291) is trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate is C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is ZJKACRRFXMWHBG-VDRZXAFZSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3/t16-,17-,18-,19+,21+/m0/s1.
What are the key properties of trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 555.05 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 22214291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).