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164238067 molecular structure
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(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy )-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2- yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

ChemBase ID: 182157
Molecular Formular: C23H40O20
Molecular Mass: 636.5517
Monoisotopic Mass: 636.21129368
SMILES and InChIs

SMILES:
C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC1)O)O)O)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C23H40O20/c24-1-5-9(27)11(29)15(33)22(38-5)42-19-7(3-26)40-23(17(35)13(19)31)43-18-6(2-25)39-21(16(34)12(18)30)41-8-4-37-20(36)14(32)10(8)28/h5-36H,1-4H2
InChIKey:
NSDQQIHRDVXJJP-UHFFFAOYSA-N

Cite this record

CBID:182157 http://www.chembase.cn/molecule-182157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy )-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2- yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy )-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2- yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164238067
PubChem CID
3832565

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3832565 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=54-55 expand Show data source
Classification
Rare Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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