trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate

C18H42O6Si4 — CID 91746731

IUPACtrimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(21-14)18(19)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16-,17-/m0/s1
InChIKeyMIYOGWZXYKUMKR-QAETUUGQSA-N
MW466.87 g/mol
LogP4.42
Rot. Bonds9

About trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate

trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate (PubChem CID 91746731) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate
PubChem CID91746731
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Nametrimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(21-14)18(19)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16-,17-/m0/s1
InChIKeyMIYOGWZXYKUMKR-QAETUUGQSA-N
XLogP4.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Saccharic acid, TMS # 1
CID 523400

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate?
The IUPAC name of trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate (CID 91746731) is trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate is C[Si](C)(C)OC[C@@H]1O[C@H](C(=O)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,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate?
The InChIKey is MIYOGWZXYKUMKR-QAETUUGQSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(21-14)18(19)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16-,17-/m0/s1.
What are the key properties of trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate?
trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate has a molecular weight of 466.87 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 91746731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).