(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one

C64H108O9Si6 — CID 11217084

IUPAC(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one
SMILESC=C=C[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)[C@@H]([C@H](O)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C64H108O9Si6/c1-27-37-49-59(74(17,18)46-38-31-28-32-39-46)52(53(65)50(69-49)44-68-79(64(14,15)16,47-40-33-29-34-41-47)48-42-35-30-36-43-48)54(66)56-58(73-78(25,26)63(11,12)13)57(72-77(23,24)62(8,9)10)55(71-76(21,22)61(5,6)7)51(70-56)45-67-75(19,20)60(2,3)4/h28-43,49-52,54-59,66H,1,44-45H2,2-26H3/t49-,50-,51-,52+,54+,55+,56+,57+,58-,59-/m1/s1
InChIKeyIRYJWFYCMGTRQZ-DMTAVTQASA-N
MW1190.07 g/mol
LogP14.16
Rot. Bonds19

About (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one

(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one (PubChem CID 11217084) has the molecular formula C64H108O9Si6 and a molecular weight of 1190.07 g/mol. Its IUPAC name is (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one.

Molecular Properties

Compound Name(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one
PubChem CID11217084
Molecular FormulaC64H108O9Si6
Molecular Weight1190.07 g/mol
Exact Mass1188.66
IUPAC Name(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one
SMILESC=C=C[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)[C@@H]([C@H](O)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C64H108O9Si6/c1-27-37-49-59(74(17,18)46-38-31-28-32-39-46)52(53(65)50(69-49)44-68-79(64(14,15)16,47-40-33-29-34-41-47)48-42-35-30-36-43-48)54(66)56-58(73-78(25,26)63(11,12)13)57(72-77(23,24)62(8,9)10)55(71-76(21,22)61(5,6)7)51(70-56)45-67-75(19,20)60(2,3)4/h28-43,49-52,54-59,66H,1,44-45H2,2-26H3/t49-,50-,51-,52+,54+,55+,56+,57+,58-,59-/m1/s1
InChIKeyIRYJWFYCMGTRQZ-DMTAVTQASA-N
XLogP14.16
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.07
LogP ≤ 514.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one?
The IUPAC name of (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one (CID 11217084) is (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one.
What is the SMILES notation for (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one?
The canonical SMILES for (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one is C=C=C[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)[C@@H]([C@H](O)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one?
The InChIKey is IRYJWFYCMGTRQZ-DMTAVTQASA-N. The full InChI is InChI=1S/C64H108O9Si6/c1-27-37-49-59(74(17,18)46-38-31-28-32-39-46)52(53(65)50(69-49)44-68-79(64(14,15)16,47-40-33-29-34-41-47)48-42-35-30-36-43-48)54(66)56-58(73-78(25,26)63(11,12)13)57(72-77(23,24)62(8,9)10)55(71-76(21,22)61(5,6)7)51(70-56)45-67-75(19,20)60(2,3)4/h28-43,49-52,54-59,66H,1,44-45H2,2-26H3/t49-,50-,51-,52+,54+,55+,56+,57+,58-,59-/m1/s1.
What are the key properties of (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one?
(2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one has a molecular weight of 1190.07 g/mol, XLogP of 14.16, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[dimethyl(phenyl)silyl]-4-[(S)-hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-6-propa-1,2-dienyloxan-3-one is sourced from PubChem (CID 11217084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).