[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate

C24H61O9PSi6 — CID 91696782

IUPAC[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C24H61O9PSi6/c1-35(2,3)28-21-20(19-26-34(25,32-39(13,14)15)33-40(16,17)18)27-24(31-38(10,11)12)23(30-37(7,8)9)22(21)29-36(4,5)6/h20-24H,19H2,1-18H3/t20-,21+,22+,23-,24?/m1/s1
InChIKeyCUWCCCIOWKKBTD-CYSUJIKDSA-N
MW693.23 g/mol
LogP8.05
Rot. Bonds15

About [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate

[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate (PubChem CID 91696782) has the molecular formula C24H61O9PSi6 and a molecular weight of 693.23 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate
PubChem CID91696782
Molecular FormulaC24H61O9PSi6
Molecular Weight693.23 g/mol
Exact Mass692.27
IUPAC Name[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C24H61O9PSi6/c1-35(2,3)28-21-20(19-26-34(25,32-39(13,14)15)33-40(16,17)18)27-24(31-38(10,11)12)23(30-37(7,8)9)22(21)29-36(4,5)6/h20-24H,19H2,1-18H3/t20-,21+,22+,23-,24?/m1/s1
InChIKeyCUWCCCIOWKKBTD-CYSUJIKDSA-N
XLogP8.05
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.23
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
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) [3,4,6-tris(trimethylsilyloxy)oxan-2-yl]methyl phosphate
CID 553822
[(2R,3R,4S,5R,6S)-2-(methoxymethyl)-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 22294600
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,4S,5R,6S)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]silane
CID 91750456
trimethyl-[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 91747556
[(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
[(2R,3S,4R,5R)-3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]methanamine
CID 141476916
[(2R,3R,4R,5R)-4,5-dimethoxy-2-(methoxymethyl)-6-trimethylsilyloxyoxan-3-yl]oxy-trimethylsilane
CID 22214938
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanamine
CID 141476923

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate?
The IUPAC name of [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate (CID 91696782) is [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate.
What is the SMILES notation for [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate?
The canonical SMILES for [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate is C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate?
The InChIKey is CUWCCCIOWKKBTD-CYSUJIKDSA-N. The full InChI is InChI=1S/C24H61O9PSi6/c1-35(2,3)28-21-20(19-26-34(25,32-39(13,14)15)33-40(16,17)18)27-24(31-38(10,11)12)23(30-37(7,8)9)22(21)29-36(4,5)6/h20-24H,19H2,1-18H3/t20-,21+,22+,23-,24?/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate?
[(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate has a molecular weight of 693.23 g/mol, XLogP of 8.05, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl bis(trimethylsilyl) phosphate is sourced from PubChem (CID 91696782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).