2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium

C62H82O6PSi3+ — CID 11829238

IUPAC2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O[Si](C)(C)C)[C@@H](OCc3ccccc3)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C62H82O6PSi3/c1-61(2,3)71(10,11)67-56-46-57-58(66-54(56)42-44-64-72(62(4,5)6,52-38-26-16-27-39-52)53-40-28-17-29-41-53)60(63-47-48-30-18-12-19-31-48)59(68-70(7,8)9)55(65-57)43-45-69(49-32-20-13-21-33-49,50-34-22-14-23-35-50)51-36-24-15-25-37-51/h12-41,54-60H,42-47H2,1-11H3/q+1/t54-,55+,56+,57-,58-,59+,60+/m1/s1
InChIKeyPLHJUOFRLZKBRQ-PVISJZRBSA-N
MW1038.56 g/mol
LogP12.46
Rot. Bonds19

About 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium

2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium (PubChem CID 11829238) has the molecular formula C62H82O6PSi3+ and a molecular weight of 1038.56 g/mol. Its IUPAC name is 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium
PubChem CID11829238
Molecular FormulaC62H82O6PSi3+
Molecular Weight1038.56 g/mol
Exact Mass1037.52
IUPAC Name2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O[Si](C)(C)C)[C@@H](OCc3ccccc3)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C62H82O6PSi3/c1-61(2,3)71(10,11)67-56-46-57-58(66-54(56)42-44-64-72(62(4,5)6,52-38-26-16-27-39-52)53-40-28-17-29-41-53)60(63-47-48-30-18-12-19-31-48)59(68-70(7,8)9)55(65-57)43-45-69(49-32-20-13-21-33-49,50-34-22-14-23-35-50)51-36-24-15-25-37-51/h12-41,54-60H,42-47H2,1-11H3/q+1/t54-,55+,56+,57-,58-,59+,60+/m1/s1
InChIKeyPLHJUOFRLZKBRQ-PVISJZRBSA-N
XLogP12.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.56
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium with MolForge

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Related Compounds

tert-butyl-[2-[(1S,3R,5S,6R,8R,9R,10S,12R)-5-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-9-phenylmethoxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-en-6-yl]ethoxy]-diphenylsilane
CID 10985732
2-[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 11083458
(E,6S)-1-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-6-but-3-enyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 140867305
(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol
CID 178184655
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
3-[(2R,3R,4S,4aS,6R,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-2-yl]propan-1-ol
CID 10996272
(3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyheptadecanoic acid
CID 11457364
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
CID 91298006
CID 91298006
(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
CID 23242968

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium?
The IUPAC name of 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium (CID 11829238) is 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O[Si](C)(C)C)[C@@H](OCc3ccccc3)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium?
The InChIKey is PLHJUOFRLZKBRQ-PVISJZRBSA-N. The full InChI is InChI=1S/C62H82O6PSi3/c1-61(2,3)71(10,11)67-56-46-57-58(66-54(56)42-44-64-72(62(4,5)6,52-38-26-16-27-39-52)53-40-28-17-29-41-53)60(63-47-48-30-18-12-19-31-48)59(68-70(7,8)9)55(65-57)43-45-69(49-32-20-13-21-33-49,50-34-22-14-23-35-50)51-36-24-15-25-37-51/h12-41,54-60H,42-47H2,1-11H3/q+1/t54-,55+,56+,57-,58-,59+,60+/m1/s1.
What are the key properties of 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium?
2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium has a molecular weight of 1038.56 g/mol, XLogP of 12.46, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4S,4aR,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-3-trimethylsilyloxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]ethyl-triphenylphosphanium is sourced from PubChem (CID 11829238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).