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1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
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ChemBase ID:
178442
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Molecular Formular:
C38H39NO7
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Molecular Mass:
621.71876
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Monoisotopic Mass:
621.27265259
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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
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Cite this record
CBID:178442 http://www.chembase.cn/molecule-178442.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
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IUPAC Traditional name
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1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
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Synonyms
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1-[2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranosyl]-2,5-pyrrolidinedione
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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7
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H Donor
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0
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LogD (pH = 5.5)
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6.2866406
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LogD (pH = 7.4)
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6.2866406
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Log P
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6.2866406
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Molar Refractivity
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172.2954 cm3
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Polarizability
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68.162285 Å3
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Polar Surface Area
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83.53 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Apperance
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Yellow Oil
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Show
data source
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent