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2641-79-4 molecular structure
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{[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl]methoxy}trimethylsilane

ChemBase ID: 141635
Molecular Formular: C19H46O6Si4
Molecular Mass: 482.90694
Monoisotopic Mass: 482.23714532
SMILES and InChIs

SMILES:
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Canonical SMILES:
CO[C@H]1O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C19H46O6Si4/c1-20-19-18(25-29(11,12)13)17(24-28(8,9)10)16(23-27(5,6)7)15(22-19)14-21-26(2,3)4/h15-19H,14H2,1-13H3/t15-,16-,17+,18-,19+/m1/s1
InChIKey:
UIDVFSCIFIMDHO-FQBWVUSXSA-N

Cite this record

CBID:141635 http://www.chembase.cn/molecule-141635.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl]methoxy}trimethylsilane
IUPAC Traditional name
{[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl]methoxy}trimethylsilane
Synonyms
Methyl 2,3,4,6-tetra-O-(trimethylsilyl)-α-D-glucopyranoside
甲基 2,3,4,6-四-O-(三甲基硅基)-α-D-吡喃葡萄糖苷
CAS Number
2641-79-4
MDL Number
MFCD11045373
PubChem SID
162235869
PubChem CID
11730569

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
689262 external link Add to cart Please log in.
Data Source Data ID
PubChem 11730569 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8592  LogD (pH = 7.4) 5.8592 
Log P 5.8592  Molar Refractivity 105.1782 cm3
Polarizability 50.939472 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥96.5% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C19H46O6Si4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 689262 external link
Packaging
100, 500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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