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(2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol
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ChemBase ID:
169487
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Molecular Formular:
C6H13NO4
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Molecular Mass:
163.17172
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Monoisotopic Mass:
163.0844579
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SMILES and InChIs
SMILES:
C1([C@H]([C@H](C([C@H](O1)N)O)O)O)C
Canonical SMILES:
O[C@@H]1C(C)O[C@@H](C([C@@H]1O)O)N
InChI:
InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2?,3-,4+,5?,6+/m1/s1
InChIKey:
UTVXFQMLZSPQLB-KYKSVUQTSA-N
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Cite this record
CBID:169487 http://www.chembase.cn/molecule-169487.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol
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IUPAC Traditional name
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(2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol
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Synonyms
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1-Amino-1,6-dideoxy-L-galactose
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1-Amino-1-deoxy-L-fucose
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6-Deoxy-a-L-galactopyranosylamine
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L-Fucosylamine
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β-L-Fucopyranosylamine
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.481976
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H Acceptors
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5
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H Donor
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4
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LogD (pH = 5.5)
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-4.1327763
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LogD (pH = 7.4)
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-2.4659061
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Log P
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-1.992511
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Molar Refractivity
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36.0372 cm3
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Polarizability
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15.257229 Å3
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Polar Surface Area
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95.94 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Apperance
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White Solid
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Show
data source
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Storage Condition
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-20°C Freezer, Under Inert Atmosphere
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent