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108647-88-7 molecular structure
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(2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate

ChemBase ID: 172932
Molecular Formular: C20H20O6
Molecular Mass: 356.3692
Monoisotopic Mass: 356.12598836
SMILES and InChIs

SMILES:
[C@@H]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC(C1)OC
Canonical SMILES:
COC1O[C@@H]([C@H](C1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
InChI:
InChI=1S/C20H20O6/c1-23-18-12-16(26-20(22)15-10-6-3-7-11-15)17(25-18)13-24-19(21)14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17+,18?/m0/s1
InChIKey:
FKSXOZQTBMQUJG-MYFVLZFPSA-N

Cite this record

CBID:172932 http://www.chembase.cn/molecule-172932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate
IUPAC Traditional name
(2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate
Synonyms
Methyl 2-Deoxy-D-erythro-pentofuranoside Dibenzoate
Methyl 2-Deoxy-D-ribofuranoside Dibenzoate
1-Methoxy-2-deoxy-3,5-di-O-benzoylribofuranose
CAS Number
108647-88-7
PubChem SID
164228842
PubChem CID
22215579

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M262415 external link Add to cart
PubChem 22215579 external link
Data Source Data ID Price
TRC
M262415 external link Add to cart Please log in.
Data Source Data ID
PubChem 22215579 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.23216  LogD (pH = 7.4) 4.23216 
Log P 4.23216  Molar Refractivity 92.8454 cm3
Polarizability 36.810116 Å3 Polar Surface Area 71.06 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
Methanol expand Show data source
Apperance
Colourless Solid (Gel) 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 - M262415 external link
An intermediate for the production of antiviral and anticancer research chemicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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