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137915-37-8 molecular structure
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(2R,3S,4R)-2-({[tris(propan-2-yl)silyl]oxy}methyl)-3,4-dihydro-2H-pyran-3,4-diol

ChemBase ID: 145584
Molecular Formular: C15H30O4Si
Molecular Mass: 302.4818
Monoisotopic Mass: 302.19133597
SMILES and InChIs

SMILES:
CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H](C=CO1)O)O
Canonical SMILES:
CC([Si](C(C)C)(C(C)C)OC[C@H]1OC=C[C@H]([C@@H]1O)O)C
InChI:
InChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-14-15(17)13(16)7-8-18-14/h7-8,10-17H,9H2,1-6H3/t13-,14-,15+/m1/s1
InChIKey:
VYZHAYQIZWKLNP-KFWWJZLASA-N

Cite this record

CBID:145584 http://www.chembase.cn/molecule-145584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R)-2-({[tris(propan-2-yl)silyl]oxy}methyl)-3,4-dihydro-2H-pyran-3,4-diol
IUPAC Traditional name
(2R,3S,4R)-2-{[(triisopropylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3,4-diol
Synonyms
6-O-(Triisopropylsilyl)-D-glucal
6-O-Triisopropylsilyl-D-glucal
6-O-(三异丙基硅基)-D-葡萄烯糖
CAS Number
137915-37-8
MDL Number
MFCD00799597
PubChem SID
24870134
162239789
PubChem CID
10614345

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10614345 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.97293  H Acceptors
H Donor LogD (pH = 5.5) 2.3928 
LogD (pH = 7.4) 2.392799  Log P 2.3928 
Molar Refractivity 77.2404 cm3 Polarizability 32.954437 Å3
Polar Surface Area 58.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>113 °C expand Show data source
>113°C(235°F) expand Show data source
>235.4 °F expand Show data source
Density
0.726 expand Show data source
0.726 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4890 expand Show data source
n20/D 1.489(lit.) expand Show data source
Optical Rotation
[α]22/D -2°, c = 1 in chloroform expand Show data source
-2 (c=1 in chloroform) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C15H30O4Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 464082 external link
Application
Important building block for both solution- and solid-phase synthesis of oligosaccharides.1
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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