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164247829 molecular structure
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(2R,3R,4S,5S,6R)-2-(((Z)-1-(benzylimino)-3-((E)-2-(benzylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetate

ChemBase ID: 191919
Molecular Formular: C28H36N2O10
Molecular Mass: 560.59284
Monoisotopic Mass: 560.23699536
SMILES and InChIs

SMILES:
C1(C(C(OC(C1O)CO)OC(C(OC(/C=N/Cc1ccccc1)O)CO)/C=N\Cc1ccccc1)O)OC(=O)C
Canonical SMILES:
OCC(C(OC1OC(CO)C(C(C1O)OC(=O)C)O)/C=N\Cc1ccccc1)OC(/C=N/Cc1ccccc1)O
InChI:
InChI=1S/C28H36N2O10/c1-18(33)37-27-25(35)23(17-32)40-28(26(27)36)39-21(14-29-12-19-8-4-2-5-9-19)22(16-31)38-24(34)15-30-13-20-10-6-3-7-11-20/h2-11,14-15,21-28,31-32,34-36H,12-13,16-17H2,1H3/b29-14-,30-15+
InChIKey:
VTNPTCOBMFYWJB-JAEDCPBXSA-N

Cite this record

CBID:191919 http://www.chembase.cn/molecule-191919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4S,5S,6R)-2-(((Z)-1-(benzylimino)-3-((E)-2-(benzylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetate
IUPAC Traditional name
(2R,3R,4S,5S,6R)-2-(((Z)-1-(benzylimino)-3-((E)-2-(benzylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetate
PubChem SID
164247829
PubChem CID
3775562

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3775562 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer expand Show data source
Classification
Rare Derivatives of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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