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870472-23-4 molecular structure
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1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione

ChemBase ID: 178442
Molecular Formular: C38H39NO7
Molecular Mass: 621.71876
Monoisotopic Mass: 621.27265259
SMILES and InChIs

SMILES:
[C@@H]1([C@@H]([C@@H](C(O[C@H]1COCc1ccccc1)N1C(=O)CCC1=O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Canonical SMILES:
O=C1CCC(=O)N1C1O[C@@H](COCc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C38H39NO7/c40-33-21-22-34(41)39(33)38-37(45-26-31-19-11-4-12-20-31)36(44-25-30-17-9-3-10-18-30)35(43-24-29-15-7-2-8-16-29)32(46-38)27-42-23-28-13-5-1-6-14-28/h1-20,32,35-38H,21-27H2/t32-,35-,36+,37-,38?/m1/s1
InChIKey:
BWKVCDULSRPUBR-XRUYLHJWSA-N

Cite this record

CBID:178442 http://www.chembase.cn/molecule-178442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
IUPAC Traditional name
1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
Synonyms
1-[2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranosyl]-2,5-pyrrolidinedione
CAS Number
870472-23-4
PubChem SID
164234352
PubChem CID
71752483

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T296380 external link Add to cart
PubChem 71752483 external link
Data Source Data ID Price
TRC
T296380 external link Add to cart Please log in.
Data Source Data ID
PubChem 71752483 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.2866406  LogD (pH = 7.4) 6.2866406 
Log P 6.2866406  Molar Refractivity 172.2954 cm3
Polarizability 68.162285 Å3 Polar Surface Area 83.53 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
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MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T296380 external link
Used in the preparation of novel glycosylating reagents.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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