[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate

C36H64F3NO8SSi2 — CID 11158575

IUPAC[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](COS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C36H64F3NO8SSi2/c1-22(2)50(23(3)4,24(5)6)45-21-35-40-33(20-43-35)34-18-31(48-51(25(7)8,26(9)10)27(11)12)17-30(47-34)16-29-14-28(13)15-32(46-29)19-44-49(41,42)36(37,38)39/h20,22-27,29-32,34H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1
InChIKeyDIKRHOYTEOXPCM-XDURGXAYSA-N
MW784.14 g/mol
LogP10.51
Rot. Bonds17

About [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate

[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate (PubChem CID 11158575) has the molecular formula C36H64F3NO8SSi2 and a molecular weight of 784.14 g/mol. Its IUPAC name is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate.

Molecular Properties

Compound Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate
PubChem CID11158575
Molecular FormulaC36H64F3NO8SSi2
Molecular Weight784.14 g/mol
Exact Mass783.38
IUPAC Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](COS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C36H64F3NO8SSi2/c1-22(2)50(23(3)4,24(5)6)45-21-35-40-33(20-43-35)34-18-31(48-51(25(7)8,26(9)10)27(11)12)17-30(47-34)16-29-14-28(13)15-32(46-29)19-44-49(41,42)36(37,38)39/h20,22-27,29-32,34H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1
InChIKeyDIKRHOYTEOXPCM-XDURGXAYSA-N
XLogP10.51
TPSA106.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.14
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate?
The IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate (CID 11158575) is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate.
What is the SMILES notation for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate?
The canonical SMILES for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate is C=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](COS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate?
The InChIKey is DIKRHOYTEOXPCM-XDURGXAYSA-N. The full InChI is InChI=1S/C36H64F3NO8SSi2/c1-22(2)50(23(3)4,24(5)6)45-21-35-40-33(20-43-35)34-18-31(48-51(25(7)8,26(9)10)27(11)12)17-30(47-34)16-29-14-28(13)15-32(46-29)19-44-49(41,42)36(37,38)39/h20,22-27,29-32,34H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1.
What are the key properties of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate?
[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate has a molecular weight of 784.14 g/mol, XLogP of 10.51, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methyl trifluoromethanesulfonate is sourced from PubChem (CID 11158575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).