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353754-90-2 molecular structure
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(3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane

ChemBase ID: 161913
Molecular Formular: C34H36O5
Molecular Mass: 524.64664
Monoisotopic Mass: 524.25627425
SMILES and InChIs

SMILES:
[C@@H]1([C@@H]([C@@H]([C@H](C(O1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)C
Canonical SMILES:
C[C@@H]1OC(OCc2ccccc2)[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C34H36O5/c1-26-31(35-22-27-14-6-2-7-15-27)32(36-23-28-16-8-3-9-17-28)33(37-24-29-18-10-4-11-19-29)34(39-26)38-25-30-20-12-5-13-21-30/h2-21,26,31-34H,22-25H2,1H3/t26-,31-,32+,33+,34?/m0/s1
InChIKey:
WFDBDGICTJECRL-KJDDAZAPSA-N

Cite this record

CBID:161913 http://www.chembase.cn/molecule-161913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane
IUPAC Traditional name
(3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane
Synonyms
Phenylmethyl 6-Deoxy-2,3,4-tris-O-(phenylmethyl)-L-mannopyranoside
Benzyl 2,3,4-Tri-O-benzyl-L-rhamnopyranose
CAS Number
353754-90-2
PubChem SID
162256048
PubChem CID
71313915

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC B315975 external link Add to cart
PubChem 71313915 external link
Data Source Data ID Price
TRC
B315975 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 7.5847692 
LogD (pH = 7.4) 7.5847692  Log P 7.5847692 
Molar Refractivity 151.8349 cm3 Polarizability 60.26664 Å3
Polar Surface Area 46.15 Å2 Rotatable Bonds 12 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Dimethyl ether,DMF expand Show data source
DMSO expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
White Crystals expand Show data source
Melting Point
44-58°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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