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5505-63-5 molecular structure
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(4R,5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride

ChemBase ID: 169662
Molecular Formular: C6H14ClNO5
Molecular Mass: 215.63206
Monoisotopic Mass: 215.05605023
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C(C(OC1CO)O)N)O)O.Cl
Canonical SMILES:
OCC1OC(O)C([C@H]([C@@H]1O)O)N.Cl
InChI:
InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3?,4-,5-,6?;/m1./s1
InChIKey:
QKPLRMLTKYXDST-NPDXWMOGSA-N

Cite this record

CBID:169662 http://www.chembase.cn/molecule-169662.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R,5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
IUPAC Traditional name
(4R,5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
Synonyms
2-Amino-2-deoxy-D-glucose Hydrochloride
2-Deoxy-2-amino-D-glucose Hydrochloride
Chitosamine Hydrochloride
Cosamin
D-(+)-Glucosamine Hydrochloride
D-Glucosamine Chloride
Glucosamine hydrochloride
NSC 234443
NSC 758
D-Glucosamine Hydrochloride
2-Amino-2-deoxy-D-mannose Hydrochloride
D-Mannosamine Hydrochloride
CAS Number
5505-63-5
66-84-2
PubChem SID
162263794
PubChem CID
71317088

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71317088 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.726975  H Acceptors
H Donor LogD (pH = 5.5) -5.5965767 
LogD (pH = 7.4) -3.9292529  Log P -3.039421 
Molar Refractivity 37.5809 cm3 Polarizability 15.959335 Å3
Polar Surface Area 116.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
White to Off-White Solid expand Show data source
Melting Point
>160°C (dec.) expand Show data source
180-183°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G514950 external link
Novel application of glucosamine to prepare medical agent for treating vertigo. Found in chitin, in mucoproteins, and in mucopolysaccharides. Antiarthritic. Recent studies show that its chondroprotective activity is related to its antiapoptic properties.
Toronto Research Chemicals - M167000 external link
A pharmaceutical compound used in the development of mannosylated liposomes for bioadhesive oral drug delivery via M cells of Peyer's patches.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Zupanets, I.A. et al.: Klin. Farmat., 15, 67 (2011)
  • • Vajarudal, Y., et al.: Clin. Ther., 3, 336 (2011)
  • • Setnikar, I., et al.: Arzneim.-Forsch., 36, 729 (2011)
  • • Pukanud, P. et al.: Drug Delivery, 16, 289 (2009)
  • • Knowles, D.J. et al.: J. Gen. Microbiol., 108, 17 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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