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

C21H50O7Si5 — CID 22211710

IUPACtrimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3/t17-,18+,19-,20-/m0/s1
InChIKeyHDGFBGPNRURMOV-YRPNKDGESA-N
MW555.05 g/mol
LogP5.44
Rot. Bonds14

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

trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 22211710) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID22211710
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Nametrimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3/t17-,18+,19-,20-/m0/s1
InChIKeyHDGFBGPNRURMOV-YRPNKDGESA-N
XLogP5.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(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
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
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
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400
l-Fucose, tetra-TMS-ether
CID 529420
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (CID 22211710) is trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is HDGFBGPNRURMOV-YRPNKDGESA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3/t17-,18+,19-,20-/m0/s1.
What are the key properties of trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 555.05 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3S,4S,5R)-6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 22211710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).