Home > Compound List > Compound details
62929-49-1 molecular structure
click picture or here to close

(3R,4S,5R)-2,3,5-tris(acetyloxy)oxan-4-yl acetate

ChemBase ID: 178233
Molecular Formular: C13H18O9
Molecular Mass: 318.27662
Monoisotopic Mass: 318.09508216
SMILES and InChIs

SMILES:
[C@@H]1([C@@H]([C@@H](C(OC1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES:
CC(=O)O[C@@H]1COC([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13?/m1/s1
InChIKey:
MJOQJPYNENPSSS-DAAZQVBGSA-N

Cite this record

CBID:178233 http://www.chembase.cn/molecule-178233.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S,5R)-2,3,5-tris(acetyloxy)oxan-4-yl acetate
IUPAC Traditional name
(3R,4S,5R)-2,3,5-tris(acetyloxy)oxan-4-yl acetate
Synonyms
Xylopyranose Tetraacetate
DL-Xylopyranose Tetraacetate
1,2,3,4-Tetra-O-acetyl-D-xylopyranose
CAS Number
62929-49-1
PubChem SID
164234143
PubChem CID
11267112

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T283910 external link Add to cart
PubChem 11267112 external link
Data Source Data ID Price
TRC
T283910 external link Add to cart Please log in.
Data Source Data ID
PubChem 11267112 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5377026  LogD (pH = 7.4) -0.5377026 
Log P -0.5377026  Molar Refractivity 66.5669 cm3
Polarizability 28.05088 Å3 Polar Surface Area 114.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate, expand Show data source
Apperance
White Solid expand Show data source
Melting Point
42-44°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 - T283910 external link
1,2,3,4-Tetra-O-acetyl-D-xylopyranose is used in the synthesis of monosaccharides by oxidation of furfural derivatives.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bognar, R., et al.: Carbohydr. Res., 52, 11 (1976)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle