bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

C24H60O11PSi6- — CID 22214343

IUPACbis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.C[Si](C)(C)OP(=O)([O-])O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4.C6H19O4PSi2/c1-26(2,3)22-13-14(23-27(4,5)6)16(24-28(7,8)9)17(19)21-15(13)18(20)25-29(10,11)12;1-12(2,3)9-11(7,8)10-13(4,5)6/h13-17,19H,1-12H3;1-6H3,(H,7,8)/p-1/t13-,14-,15-,16+,17?;/m0./s1
InChIKeyRERYMKJHFLSZNI-YMGOVGESSA-M
MW724.22 g/mol
LogP5.90
Rot. Bonds12

About bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 22214343) has the molecular formula C24H60O11PSi6- and a molecular weight of 724.22 g/mol. Its IUPAC name is bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID22214343
Molecular FormulaC24H60O11PSi6-
Molecular Weight724.22 g/mol
Exact Mass723.25
IUPAC Namebis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.C[Si](C)(C)OP(=O)([O-])O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4.C6H19O4PSi2/c1-26(2,3)22-13-14(23-27(4,5)6)16(24-28(7,8)9)17(19)21-15(13)18(20)25-29(10,11)12;1-12(2,3)9-11(7,8)10-13(4,5)6/h13-17,19H,1-12H3;1-6H3,(H,7,8)/p-1/t13-,14-,15-,16+,17?;/m0./s1
InChIKeyRERYMKJHFLSZNI-YMGOVGESSA-M
XLogP5.90
TPSA142.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.22
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (CID 22214343) is bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is C[Si](C)(C)OC(=O)[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.C[Si](C)(C)OP(=O)([O-])O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is RERYMKJHFLSZNI-YMGOVGESSA-M. The full InChI is InChI=1S/C18H42O7Si4.C6H19O4PSi2/c1-26(2,3)22-13-14(23-27(4,5)6)16(24-28(7,8)9)17(19)21-15(13)18(20)25-29(10,11)12;1-12(2,3)9-11(7,8)10-13(4,5)6/h13-17,19H,1-12H3;1-6H3,(H,7,8)/p-1/t13-,14-,15-,16+,17?;/m0./s1.
What are the key properties of bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 724.22 g/mol, XLogP of 5.90, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) phosphate;trimethylsilyl (2S,3R,4S,5R)-6-hydroxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 22214343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).