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53538-03-7 molecular structure
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trimethyl({[(2S,3S,4R,5R)-2,3,4-tris[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]methoxy})silane

ChemBase ID: 153539
Molecular Formular: C21H52O6Si5
Molecular Mass: 541.06148
Monoisotopic Mass: 540.26102204
SMILES and InChIs

SMILES:
C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Canonical SMILES:
C[Si](O[C@@H]1[C@@H](CO[Si](C)(C)C)O[C@@]([C@H]1O[Si](C)(C)C)(CO[Si](C)(C)C)O[Si](C)(C)C)(C)C
InChI:
InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-18-19(25-30(7,8)9)20(26-31(10,11)12)21(24-18,27-32(13,14)15)17-23-29(4,5)6/h18-20H,16-17H2,1-15H3/t18-,19-,20+,21+/m1/s1
InChIKey:
PLNWQGWZBNJIQM-CGXNFDGLSA-N

Cite this record

CBID:153539 http://www.chembase.cn/molecule-153539.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl({[(2S,3S,4R,5R)-2,3,4-tris[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]methoxy})silane
IUPAC Traditional name
trimethyl({[(2S,3S,4R,5R)-2,3,4-tris[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]methoxy})silane
Synonyms
Trimethylsilyl-D-(-)-fructose
三甲基硅基-D-(-)-果糖
CAS Number
53538-03-7
PubChem SID
24900570
162247678
PubChem CID
6427431

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
T8903 external link Add to cart Please log in.
Data Source Data ID
PubChem 6427431 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.9237  LogD (pH = 7.4) 7.9237 
Log P 7.9237  Molar Refractivity 116.9903 cm3
Polarizability 57.548737 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
clear, colorless liquid expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% expand Show data source
Empirical Formula (Hill Notation)
C21H52O6Si5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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