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308103-43-7 molecular structure
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(2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol

ChemBase ID: 135455
Molecular Formular: C38H46O4Si2
Molecular Mass: 622.94044
Monoisotopic Mass: 622.29346302
SMILES and InChIs

SMILES:
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@@H]1[C@H]([C@@H](C=CO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O
Canonical SMILES:
O[C@@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C38H46O4Si2/c1-37(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-29-35-36(39)34(27-28-40-35)42-44(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-28,34-36,39H,29H2,1-6H3/t34-,35-,36+/m1/s1
InChIKey:
CWKMLPNAHWLONH-LBYVEUBFSA-N

Cite this record

CBID:135455 http://www.chembase.cn/molecule-135455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
IUPAC Traditional name
(2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
Synonyms
3,6-Di-O-(tert-butyldiphenylsilyl)-D-glucal
3,6-Di-O-(tert-butyldiphenylsilyl)-D-galactal
3,6-Di-O-tert-butyldiphenylsilyl-D-glucal
3,6-二-O-(叔丁基二苯基甲硅烷基)-D-葡萄烯糖
3,6-二-O-(叔丁基二苯基甲硅烷基)-D-半乳醛
CAS Number
308103-43-7
344303-60-2
MDL Number
MFCD01863628
PubChem SID
162229729
24870828
24873163
PubChem CID
16213141

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16213141 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.093117  H Acceptors
H Donor LogD (pH = 5.5) 10.2333 
LogD (pH = 7.4) 10.233299  Log P 10.2333 
Molar Refractivity 172.2521 cm3 Polarizability 72.519295 Å3
Polar Surface Area 47.92 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>113°C(235°F) expand Show data source
113 °C expand Show data source
140 °F expand Show data source
235 °F expand Show data source
60 °C expand Show data source
Refractive Index
n20/D 1.559(lit.) expand Show data source
Optical Rotation
[α]22/D -10°, c = 1 in chloroform expand Show data source
[α]25/D +6°, c = 1 in chloroform expand Show data source
+6 (c=1 in chloroform) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
TSCA Listed
expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Contains
~5 wt. % ethyl acetate, added to induce mobility of syrup expand Show data source
Empirical Formula (Hill Notation)
C38H46O4Si2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 472808 external link
Application
Important building block for both solution- and solid-phase synthesis of oligosaccharides.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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