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7535-00-4 molecular structure
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(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

ChemBase ID: 127511
Molecular Formular: C6H13NO5
Molecular Mass: 179.17112
Monoisotopic Mass: 179.07937252
SMILES and InChIs

SMILES:
O[C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1N)CO
Canonical SMILES:
OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)N
InChI:
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1
InChIKey:
MSWZFWKMSRAUBD-GASJEMHNSA-N

Cite this record

CBID:127511 http://www.chembase.cn/molecule-127511.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
IUPAC Traditional name
galactosamine
Synonyms
α-D-galactosamine
Galactosamine
CAS Number
7535-00-4
PubChem SID
162221830
PubChem CID
24154
CHEBI ID
60312
CHEMBL
207280
Chemspider ID
22576
Wikipedia Title
Galactosamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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 
Acid pKa 11.726975  H Acceptors
H Donor LogD (pH = 5.5) -5.5965767 
LogD (pH = 7.4) -3.9292529 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
180 °C (HCl salt) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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