tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane

C27H56O9Si2 — CID 71502014

IUPACtert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C27H56O9Si2/c1-26(2,3)37(11,12)33-16-19-22(29-8)21(28-7)18(35-19)15-32-25-24(31-10)23(30-9)20(36-25)17-34-38(13,14)27(4,5)6/h18-25H,15-17H2,1-14H3/t18-,19-,20-,21+,22-,23-,24-,25+/m1/s1
InChIKeyQJPYCXBQJHCJLP-YMSJCZCJSA-N
MW580.91 g/mol
LogP4.60
Rot. Bonds13

About tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 71502014) has the molecular formula C27H56O9Si2 and a molecular weight of 580.91 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
PubChem CID71502014
Molecular FormulaC27H56O9Si2
Molecular Weight580.91 g/mol
Exact Mass580.35
IUPAC Nametert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C27H56O9Si2/c1-26(2,3)37(11,12)33-16-19-22(29-8)21(28-7)18(35-19)15-32-25-24(31-10)23(30-9)20(36-25)17-34-38(13,14)27(4,5)6/h18-25H,15-17H2,1-14H3/t18-,19-,20-,21+,22-,23-,24-,25+/m1/s1
InChIKeyQJPYCXBQJHCJLP-YMSJCZCJSA-N
XLogP4.60
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.91
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane (CID 71502014) is tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane is CO[C@@H]1[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H]1OC.
What is the InChIKey of tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane?
The InChIKey is QJPYCXBQJHCJLP-YMSJCZCJSA-N. The full InChI is InChI=1S/C27H56O9Si2/c1-26(2,3)37(11,12)33-16-19-22(29-8)21(28-7)18(35-19)15-32-25-24(31-10)23(30-9)20(36-25)17-34-38(13,14)27(4,5)6/h18-25H,15-17H2,1-14H3/t18-,19-,20-,21+,22-,23-,24-,25+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 580.91 g/mol, XLogP of 4.60, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 71502014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).