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34621-73-3 molecular structure
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N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]acetamide

ChemBase ID: 158907
Molecular Formular: C14H25NO11
Molecular Mass: 383.3484
Monoisotopic Mass: 383.14276063
SMILES and InChIs

SMILES:
O1C([C@H]([C@H]([C@@H]([C@@H]1CO)O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1NC(=O)C)O)O)CO)O
Canonical SMILES:
OC[C@@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@@H]1NC(=O)C)O)O
InChI:
InChI=1S/C14H25NO11/c1-4(18)15-7-10(21)8(19)6(3-17)25-14(7)26-12-11(22)9(20)5(2-16)24-13(12)23/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10-,11+,12+,13?,14+/m1/s1
InChIKey:
KGSIOYQZUFTKHO-DLDFRZNISA-N

Cite this record

CBID:158907 http://www.chembase.cn/molecule-158907.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]acetamide
IUPAC Traditional name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]acetamide
Synonyms
GlcNAcβ-1-2Man
2-O-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-D-mannose
CAS Number
34621-73-3
PubChem SID
162253042
PubChem CID
10221549

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A158175 external link Add to cart
PubChem 10221549 external link
Data Source Data ID Price
TRC
A158175 external link Add to cart Please log in.
Data Source Data ID
PubChem 10221549 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.255271  H Acceptors 11 
H Donor LogD (pH = 5.5) -4.9914107 
LogD (pH = 7.4) -4.99147  Log P -4.9914103 
Molar Refractivity 79.438 cm3 Polarizability 33.212086 Å3
Polar Surface Area 198.4 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
141-143°C expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A158175 external link
A common oligosaccharide that inhibits the adherence of typical and atypical respiratory pathogens.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bryan, R., et al.: J. Infect. Dis., 179, 1449 (1999)
  • • Chiu, C., et al.: Microbiology, 147, 2651 (1999)
  • • Ahmed, K., et al.: Med. Microbiol. Immunol., 191, 5 (1999)
  • • Ariel, N., et al.: Infect. Immun., 71, 4563 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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