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6318-23-6 molecular structure
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(2R,4S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol

ChemBase ID: 169542
Molecular Formular: C6H13NO5
Molecular Mass: 179.17112
Monoisotopic Mass: 179.07937252
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C([C@@H](OC1CO)N)O)O)O
Canonical SMILES:
OCC1O[C@@H](N)C([C@H]([C@H]1O)O)O
InChI:
InChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3-,4-,5?,6+/m0/s1
InChIKey:
WCWOEQFAYSXBRK-DLGJCNIVSA-N

Cite this record

CBID:169542 http://www.chembase.cn/molecule-169542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Traditional name
(2R,4S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms
β-D-Galactosylamine
1-Amino-1-deoxy-β-D-galactose
NSC 25270
β-D-Galactopyranosylamine
CAS Number
6318-23-6
PubChem SID
162263674
PubChem CID
46780414

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC G154475 external link Add to cart
PubChem 46780414 external link
Data Source Data ID Price
TRC
G154475 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780414 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.457829  H Acceptors
H Donor LogD (pH = 5.5) -4.9071636 
LogD (pH = 7.4) -3.3363702  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 Crystalline Solid expand Show data source
Melting Point
128-133°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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