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223412-29-1 molecular structure
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(1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate

ChemBase ID: 175805
Molecular Formular: C22H36O10
Molecular Mass: 460.51524
Monoisotopic Mass: 460.23084735
SMILES and InChIs

SMILES:
[C@H]1([C@@H](OC([C@@H]1OC(=O)C)OCCCCCCCC)[C@H](COC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES:
CCCCCCCCOC1O[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)[C@@H](OC(=O)C)COC(=O)C
InChI:
InChI=1S/C22H36O10/c1-6-7-8-9-10-11-12-27-22-21(31-17(5)26)20(30-16(4)25)19(32-22)18(29-15(3)24)13-28-14(2)23/h18-22H,6-13H2,1-5H3/t18?,19-,20-,21+,22?/m0/s1
InChIKey:
YQYGIWWSRQRBBQ-QETREINWSA-N

Cite this record

CBID:175805 http://www.chembase.cn/molecule-175805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate
IUPAC Traditional name
(1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate
Synonyms
Octyl D-Galactofuranoside Tetraacetate
CAS Number
223412-29-1
PubChem SID
164231715
PubChem CID
71751292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC O241200 external link Add to cart
PubChem 71751292 external link
Data Source Data ID Price
TRC
O241200 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5772626  LogD (pH = 7.4) 2.5772626 
Log P 2.5772626  Molar Refractivity 109.5582 cm3
Polarizability 45.156124 Å3 Polar Surface Area 123.66 Å2
Rotatable Bonds 18  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil 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 - O241200 external link
Protected D-Galactofuranose.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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