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220017-49-2 molecular structure
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(2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate

ChemBase ID: 178307
Molecular Formular: C26H44O10
Molecular Mass: 516.62156
Monoisotopic Mass: 516.29344761
SMILES and InChIs

SMILES:
[C@H]1([C@@H](OC([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)[C@H](O)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Canonical SMILES:
O[C@@H]([C@@H]1OC([C@@H]([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)COC(=O)C(C)(C)C
InChI:
InChI=1S/C26H44O10/c1-23(2,3)19(28)32-13-14(27)15-16(34-20(29)24(4,5)6)17(35-21(30)25(7,8)9)18(33-15)36-22(31)26(10,11)12/h14-18,27H,13H2,1-12H3/t14?,15-,16-,17+,18?/m0/s1
InChIKey:
QKVPHRSJRTWUAC-NNCLKIPCSA-N

Cite this record

CBID:178307 http://www.chembase.cn/molecule-178307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate
IUPAC Traditional name
(2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate
Synonyms
α-D-Galactofuranose 1,2,3,6-Tetrakis(2,2-dimethylpropanoate)
1,2,3,6-Tetra-O-pivaloyl-α-D-galactofuranoside
CAS Number
220017-49-2
PubChem SID
164234217
PubChem CID
71752425

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T306350 external link Add to cart
PubChem 71752425 external link
Data Source Data ID Price
TRC
T306350 external link Add to cart Please log in.
Data Source Data ID
PubChem 71752425 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.304489  H Acceptors
H Donor LogD (pH = 5.5) 6.030108 
LogD (pH = 7.4) 6.0301075  Log P 6.030108 
Molar Refractivity 127.339 cm3 Polarizability 52.39305 Å3
Polar Surface Area 134.66 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
Melting Point
102-106°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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