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164240084 molecular structure
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(2R,3R,4R,5S,6R)-6-(acetoxymethyl)-2-(((2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3-yl)oxy)-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate

ChemBase ID: 184174
Molecular Formular: C24H34O17
Molecular Mass: 594.51656
Monoisotopic Mass: 594.17959963
SMILES and InChIs

SMILES:
C1(C(C(C(OC1OC1C(C(C(OC1COC(=O)C)O)OC(=O)C)OC(=O)C)COC(=O)C)O)OC(=O)C)OC(=O)C
Canonical SMILES:
CC(=O)OCC1OC(OC2C(COC(=O)C)OC(C(C2OC(=O)C)OC(=O)C)O)C(C(C1O)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C24H34O17/c1-9(25)33-7-15-17(31)19(35-11(3)27)22(38-14(6)30)24(40-15)41-18-16(8-34-10(2)26)39-23(32)21(37-13(5)29)20(18)36-12(4)28/h15-24,31-32H,7-8H2,1-6H3
InChIKey:
LILBYIPNRVSZHK-UHFFFAOYSA-N

Cite this record

CBID:184174 http://www.chembase.cn/molecule-184174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R,5S,6R)-6-(acetoxymethyl)-2-(((2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3-yl)oxy)-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate
IUPAC Traditional name
(2R,3R,4R,5S,6R)-6-(acetoxymethyl)-2-(((2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3-yl)oxy)-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate
PubChem SID
164240084
PubChem CID
3749609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3749609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=8-9 expand Show data source
Classification
Rare Derivatives of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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