Home > Compound List > Compound details
2152-77-4 molecular structure
click picture or here to close

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

ChemBase ID: 171511
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-ZVDSWSACSA-N

Cite this record

CBID:171511 http://www.chembase.cn/molecule-171511.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S,3R,4S,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate
IUPAC Traditional name
[(2S,3R,4S,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate
Synonyms
Idopyranose Pentaacetate
Pentaacetate α-L-Idopyranose
α-L-Idopyranose Pentaacetate
CAS Number
2152-77-4
PubChem SID
164227421
PubChem CID
12236020

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC I192500 external link Add to cart
PubChem 12236020 external link
Data Source Data ID Price
TRC
I192500 external link Add to cart Please log in.
Data Source Data ID
PubChem 12236020 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)
Solubility
Acetone expand Show data source
Dichloromethane expand Show data source
DMF expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
94-96°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - I192500 external link
α-L-Idopyranose pentaacetate is used in the synthesis of mucopolysaccharides as antagonists agents.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hopwood., et al.: Clinica Chem. Acta, 123, 241 (1982)
  • • Ogamo., et al.: Carbohydr. Res., 105 (1982)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle