bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate

C21H53O8PSi5 — CID 553822

IUPACbis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate
SMILESC[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C21H53O8PSi5/c1-31(2,3)25-18-16-20(26-32(4,5)6)24-19(21(18)27-33(7,8)9)17-23-30(22,28-34(10,11)12)29-35(13,14)15/h18-21H,16-17H2,1-15H3
InChIKeyMTXKDBAPCUPMQV-UHFFFAOYSA-N
MW605.05 g/mol
LogP7.22
Rot. Bonds13

About bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate

bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate (PubChem CID 553822) has the molecular formula C21H53O8PSi5 and a molecular weight of 605.05 g/mol. Its IUPAC name is bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate.

Molecular Properties

Compound Namebis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate
PubChem CID553822
Molecular FormulaC21H53O8PSi5
Molecular Weight605.05 g/mol
Exact Mass604.23
IUPAC Namebis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate
SMILESC[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C21H53O8PSi5/c1-31(2,3)25-18-16-20(26-32(4,5)6)24-19(21(18)27-33(7,8)9)17-23-30(22,28-34(10,11)12)29-35(13,14)15/h18-21H,16-17H2,1-15H3
InChIKeyMTXKDBAPCUPMQV-UHFFFAOYSA-N
XLogP7.22
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.05
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate
CID 91696782
trimethyl-[(2R,3S,5S)-5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 6427856
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate
CID 90471522
1-[(2S,4R,5R,6R)-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 11730245
trimethyl-[(2R,3R,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 91750468
[(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl diphenyl phosphate
CID 102339417
2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate
CID 553144
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
trimethylalumane;tris(trimethylsilyl) phosphate
CID 16689658
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
bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
CID 6428467

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate?
The IUPAC name of bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate (CID 553822) is bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate.
What is the SMILES notation for bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate?
The canonical SMILES for bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate is C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1.
What is the InChIKey of bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate?
The InChIKey is MTXKDBAPCUPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H53O8PSi5/c1-31(2,3)25-18-16-20(26-32(4,5)6)24-19(21(18)27-33(7,8)9)17-23-30(22,28-34(10,11)12)29-35(13,14)15/h18-21H,16-17H2,1-15H3.
What are the key properties of bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate?
bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate has a molecular weight of 605.05 g/mol, XLogP of 7.22, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate is sourced from PubChem (CID 553822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).