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162254793 molecular structure
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dibenzyl [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate

ChemBase ID: 160658
Molecular Formular: C34H37O8P
Molecular Mass: 604.626541
Monoisotopic Mass: 604.22260477
SMILES and InChIs

SMILES:
[C@H]1([C@@H]([C@H](O[C@H]1CO)COP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Canonical SMILES:
OC[C@@H]1O[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C34H37O8P/c35-21-31-33(37-22-27-13-5-1-6-14-27)34(38-23-28-15-7-2-8-16-28)32(42-31)26-41-43(36,39-24-29-17-9-3-10-18-29)40-25-30-19-11-4-12-20-30/h1-20,31-35H,21-26H2/t31-,32+,33+,34+/m0/s1
InChIKey:
IYRWMYOBDFJOAR-KRFMAMIKSA-N

Cite this record

CBID:160658 http://www.chembase.cn/molecule-160658.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibenzyl [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
IUPAC Traditional name
dibenzyl [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
Synonyms
2,5-Anhydro-3,4-dibenzyl-D-glucitol-6-(dibenzylphosphate)
PubChem SID
162254793
PubChem CID
71313414

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A637860 external link Add to cart
PubChem 71313414 external link
Data Source Data ID Price
TRC
A637860 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313414 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.587722  H Acceptors
H Donor LogD (pH = 5.5) 6.2481856 
LogD (pH = 7.4) 6.2481856  Log P 6.2481856 
Molar Refractivity 162.6838 cm3 Polarizability 64.83799 Å3
Polar Surface Area 92.68 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A637860 external link
Protected D-glucitol.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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