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148411-57-8 molecular structure
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(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol

ChemBase ID: 149793
Molecular Formular: C12H24N2O9
Molecular Mass: 340.32696
Monoisotopic Mass: 340.14818036
SMILES and InChIs

SMILES:
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)N)O)CO)N)O)O)O
Canonical SMILES:
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)O)N
InChI:
InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey:
QLTSDROPCWIKKY-PMCTYKHCSA-N

Cite this record

CBID:149793 http://www.chembase.cn/molecule-149793.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol
IUPAC Traditional name
(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol
Synonyms
Chitosan oligosaccharide lactate
壳聚糖寡糖乳酸
CAS Number
148411-57-8
MDL Number
MFCD02097973
PubChem SID
162243955
24874360
PubChem CID
16213812

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
523682 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213812 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.718324  H Acceptors 11 
H Donor LogD (pH = 5.5) -10.13253 
LogD (pH = 7.4) -6.8737082  Log P -4.9171386 
Molar Refractivity 71.6517 cm3 Polarizability 30.58436 Å3
Polar Surface Area 201.11 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Compostion
oligosaccharide, 60% expand Show data source
Mol. Weight
average Mn 5,000 expand Show data source
Linear Formula
(C12H24N2O9)n expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 523682 external link
General description
Mn = 4,000 - 6,000
Packaging
1 g in glass bottle
10 g in poly bottle
Physical form
> 90% deacetylated
Application
Water treatment for organic and heavy metal pollutants, biomedical devices, biodegradable packaging, textile finishing for water permeable fabrics, cosmetics.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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