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253678-67-0 molecular structure
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(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

ChemBase ID: 155886
Molecular Formular: C23H44O11
Molecular Mass: 496.58886
Monoisotopic Mass: 496.28836223
SMILES and InChIs

SMILES:
CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Canonical SMILES:
CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChI:
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChIKey:
UYEMNFYVTFDKRG-ZNGNCRBCSA-N

Cite this record

CBID:155886 http://www.chembase.cn/molecule-155886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Traditional name
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms
Undecyl β-D-maltopyranoside
Undecyl β-D-maltoside
Detergent Screening Solution 25/Fluka kit no 66317
Undecyl β-D-maltopyranoside solution
Undecyl β-D-maltoside solution
CAS Number
253678-67-0
MDL Number
MFCD01863130
Beilstein Number
9372606
PubChem SID
162250024
24889951
24845777
PubChem CID
447793

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 447793 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.939976  H Acceptors 11 
H Donor LogD (pH = 5.5) 0.37563115 
LogD (pH = 7.4) 0.3756188  Log P 0.3756313 
Molar Refractivity 119.1685 cm3 Polarizability 48.96104 Å3
Polar Surface Area 178.53 Å2 Rotatable Bonds 15 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Optical Rotation
[α]20/D +49±1°, c = 2% in H2O expand Show data source
Critical Micelle Concentration
0.59 mM(20-25°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥99.0% (TLC) expand Show data source
Concentration
10 mM expand Show data source
Description
non-ionic expand Show data source
Empirical Formula (Hill Notation)
C23H44O11 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 94206 external link
Application
Detergent for the purification, extraction and solubilization of membrane-bound proteins in the native structure. It increases solubilization by dissociating aggregates and is easily removed by dialysis.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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