(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol

C26H40O5Si2 — CID 10529042

IUPAC(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol
SMILESCC(C)(C)[Si](O[C@H]1[C@H](OCC[Si](C)(C)C)OC[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O5Si2/c1-26(2,3)33(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-24-23(28)22(27)19-30-25(24)29-17-18-32(4,5)6/h7-16,22-25,27-28H,17-19H2,1-6H3/t22-,23+,24-,25-/m1/s1
InChIKeyHHHPSGNMTFKZSN-ZFFYZDHPSA-N
MW488.77 g/mol
LogP3.36
Rot. Bonds8

About (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol

(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol (PubChem CID 10529042) has the molecular formula C26H40O5Si2 and a molecular weight of 488.77 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol
PubChem CID10529042
Molecular FormulaC26H40O5Si2
Molecular Weight488.77 g/mol
Exact Mass488.24
IUPAC Name(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol
SMILESCC(C)(C)[Si](O[C@H]1[C@H](OCC[Si](C)(C)C)OC[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O5Si2/c1-26(2,3)33(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-24-23(28)22(27)19-30-25(24)29-17-18-32(4,5)6/h7-16,22-25,27-28H,17-19H2,1-6H3/t22-,23+,24-,25-/m1/s1
InChIKeyHHHPSGNMTFKZSN-ZFFYZDHPSA-N
XLogP3.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
CID 160925208
(3R,3aR,6S,6aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 160626165
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol?
The IUPAC name of (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol (CID 10529042) is (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol is CC(C)(C)[Si](O[C@H]1[C@H](OCC[Si](C)(C)C)OC[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol?
The InChIKey is HHHPSGNMTFKZSN-ZFFYZDHPSA-N. The full InChI is InChI=1S/C26H40O5Si2/c1-26(2,3)33(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-24-23(28)22(27)19-30-25(24)29-17-18-32(4,5)6/h7-16,22-25,27-28H,17-19H2,1-6H3/t22-,23+,24-,25-/m1/s1.
What are the key properties of (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol?
(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol has a molecular weight of 488.77 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol is sourced from PubChem (CID 10529042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).