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58381-23-0 molecular structure
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(3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate

ChemBase ID: 159509
Molecular Formular: C28H30O6
Molecular Mass: 462.5342
Monoisotopic Mass: 462.20423868
SMILES and InChIs

SMILES:
[C@@H]1(OCc2ccccc2)[C@@H](COCc2ccccc2)OC([C@@H]1OCc1ccccc1)OC(=O)C
Canonical SMILES:
CC(=O)OC1O[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
InChI:
InChI=1S/C28H30O6/c1-21(29)33-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(34-28)20-30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27-,28?/m1/s1
InChIKey:
CPWPSDGLXXKBKZ-STQJPMTFSA-N

Cite this record

CBID:159509 http://www.chembase.cn/molecule-159509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate
IUPAC Traditional name
(3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate
Synonyms
2,3,5-Tris-O-(phenylmethyl)-D-ribofuranose Acetate
1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose
CAS Number
58381-23-0
PubChem SID
162253644
PubChem CID
14131030

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A189400 external link Add to cart
PubChem 14131030 external link
Data Source Data ID Price
TRC
A189400 external link Add to cart Please log in.
Data Source Data ID
PubChem 14131030 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.24172  LogD (pH = 7.4) 5.24172 
Log P 5.24172  Molar Refractivity 127.2038 cm3
Polarizability 50.72441 Å3 Polar Surface Area 63.22 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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