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164240622 molecular structure
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(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-tri ol

ChemBase ID: 184712
Molecular Formular: C17H30O14
Molecular Mass: 458.4117
Monoisotopic Mass: 458.16355564
SMILES and InChIs

SMILES:
C1(C(C(C(OC2C(C(C(CO2)O)O)O)C(O1)CO)O)O)OC1C(C(C(OC1C)O)O)O
Canonical SMILES:
OCC1OC(OC2C(C)OC(C(C2O)O)O)C(C(C1OC1OCC(C(C1O)O)O)O)O
InChI:
InChI=1S/C17H30O14/c1-4-13(8(21)10(23)15(26)28-4)30-17-12(25)9(22)14(6(2-18)29-17)31-16-11(24)7(20)5(19)3-27-16/h4-26H,2-3H2,1H3
InChIKey:
UUPHNFLDYBBOPC-UHFFFAOYSA-N

Cite this record

CBID:184712 http://www.chembase.cn/molecule-184712.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-tri ol
IUPAC Traditional name
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-tri ol
PubChem SID
164240622
PubChem CID
3770829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3770829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=31 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

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