trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate

C24H60O7Si6 — CID 523309

IUPACtrimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21+,22+,23-/m0/s1
InChIKeyIVIMVRAMMWQMHJ-AFXVXQJMSA-N
MW629.25 g/mol
LogP7.10
Rot. Bonds16

About trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate

trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate (PubChem CID 523309) has the molecular formula C24H60O7Si6 and a molecular weight of 629.25 g/mol. Its IUPAC name is trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate
PubChem CID523309
Molecular FormulaC24H60O7Si6
Molecular Weight629.25 g/mol
Exact Mass628.30
IUPAC Nametrimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21+,22+,23-/m0/s1
InChIKeyIVIMVRAMMWQMHJ-AFXVXQJMSA-N
XLogP7.10
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.25
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate with MolForge

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
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
(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-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
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
Saccharic acid, TMS # 1
CID 523400

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate (CID 523309) is trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate?
The InChIKey is IVIMVRAMMWQMHJ-AFXVXQJMSA-N. The full InChI is InChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21+,22+,23-/m0/s1.
What are the key properties of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate?
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate has a molecular weight of 629.25 g/mol, XLogP of 7.10, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 523309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).