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66966-07-2 molecular structure
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[(2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate

ChemBase ID: 169673
Molecular Formular: C16H22O11
Molecular Mass: 390.33928
Monoisotopic Mass: 390.11621152
SMILES and InChIs

SMILES:
[C@@H]1([C@H]([C@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
Canonical SMILES:
CC(=O)OC[C@@H]1O[C@H](OC(=O)C)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15+,16-/m0/s1
InChIKey:
LPTITAGPBXDDGR-GCSSGZNBSA-N

Cite this record

CBID:169673 http://www.chembase.cn/molecule-169673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate
IUPAC Traditional name
[(2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate
Synonyms
1,2,3,4,6-Penta-O-acetyl-β-L-glucopyranose
β-L-Glucose Pentaacetate
β-L-Glucose Pentaacetate
CAS Number
66966-07-2
PubChem SID
162263805
PubChem CID
40775262

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC G596510 external link Add to cart
PubChem 40775262 external link
Data Source Data ID Price
TRC
G596510 external link Add to cart Please log in.
Data Source Data ID
PubChem 40775262 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.72691214  LogD (pH = 7.4) -0.72691214 
Log P -0.72691214  Molar Refractivity 81.6809 cm3
Polarizability 34.419 Å3 Polar Surface Area 140.73 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
White Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G596510 external link
Displays insulinotropic potential.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Louchami, K. et al.; Int. J. Mol. Med. 3, 181 (1999)
  • • Malaisse, W. et a.; Int. J. Mol. Med. 2, 383 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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