trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane

C36H86O11Si8 — CID 91746510

IUPACtrimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3/t28-,29+,30-,31+,32+,33-,34-,35+,36-/m0/s1
InChIKeyJDAONBLATRVCRV-LKCXEKGWSA-N
MW919.76 g/mol
LogP9.48
Rot. Bonds21

About trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane

trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane (PubChem CID 91746510) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane
PubChem CID91746510
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Nametrimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3/t28-,29+,30-,31+,32+,33-,34-,35+,36-/m0/s1
InChIKeyJDAONBLATRVCRV-LKCXEKGWSA-N
XLogP9.48
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.76
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane with MolForge

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Related Compounds

1,3,4,6-Tetra-O-methylhex-2-ulofuranosyl 2,3,4,6-tetra-O-methylhexopyranoside
CID 219887
alpha-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)-
CID 11038830
((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
beta-D-Glucopyranose, TMS
CID 13587619
alpha-D-Ribofuranoside, methyl 2,3,5-tris-O-(trimethylsilyl)-
CID 22294782
(2R,3S,4S,5R,6R)-4-[(2S,3R,4S,5S)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-yl]oxy-3,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane
CID 162880540
Octa-O-methylsucrose
CID 13832817
D-Glucopyranose, 4-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-beta-D-galactopyranosyl]-1,2,3,6-tetrakis-O-(trimethylsilyl)-
CID 519729
1,2,3,4,6-Pentakis-O-(trimethylsilyl)hexopyranose
CID 520562
Lactose, octakis(trimethylsilyl)-
CID 521102
alpha-Galactose, TMS
CID 6427851
Sucrose, 8TMS
CID 10931011

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane (CID 91746510) is trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane is C[Si](C)(C)OC[C@@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane?
The InChIKey is JDAONBLATRVCRV-LKCXEKGWSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3/t28-,29+,30-,31+,32+,33-,34-,35+,36-/m0/s1.
What are the key properties of trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane?
trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane has a molecular weight of 919.76 g/mol, XLogP of 9.48, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3S,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxysilane is sourced from PubChem (CID 91746510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).