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35978-97-3 molecular structure
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6-amino-N-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]hexanamide

ChemBase ID: 159898
Molecular Formular: C12H24N2O5
Molecular Mass: 276.32936
Monoisotopic Mass: 276.16852188
SMILES and InChIs

SMILES:
C1([C@H]([C@H](C([C@H](O1)NC(=O)CCCCCN)O)O)O)C
Canonical SMILES:
NCCCCCC(=O)N[C@H]1OC(C)[C@H]([C@H](C1O)O)O
InChI:
InChI=1S/C12H24N2O5/c1-7-9(16)10(17)11(18)12(19-7)14-8(15)5-3-2-4-6-13/h7,9-12,16-18H,2-6,13H2,1H3,(H,14,15)/t7?,9-,10+,11?,12+/m1/s1
InChIKey:
OCYKRQKYASNHPN-QXLODFHTSA-N

Cite this record

CBID:159898 http://www.chembase.cn/molecule-159898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-N-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]hexanamide
IUPAC Traditional name
6-amino-N-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]hexanamide
Synonyms
6-Amino-N-(6-deoxy-β-L-galactopyranosyl Hexanamide
N-(ε-Aminocaproyl)-β-L-fucopyranosylamine
CAS Number
35978-97-3
PubChem SID
162254033
PubChem CID
46780224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A603010 external link Add to cart
PubChem 46780224 external link
Data Source Data ID Price
TRC
A603010 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780224 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.858412  H Acceptors
H Donor LogD (pH = 5.5) -4.706929 
LogD (pH = 7.4) -4.2859316  Log P -1.8053864 
Molar Refractivity 67.4971 cm3 Polarizability 27.49301 Å3
Polar Surface Area 125.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
White Amorphous Powder expand Show data source
Melting Point
75-80°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, 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 - A603010 external link
Used for the isolation of L-fucose binding proteins using affinity chromatography.

REFERENCES

REFERENCES

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  • • Biochim. Biophys. Acta, 264(1)
  • • 171 (1972)
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PATENTS

PATENTS

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INTERNET

INTERNET

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