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51146-53-3 molecular structure
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(4S,5R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

ChemBase ID: 165928
Molecular Formular: C6H11FO5
Molecular Mass: 182.1469432
Monoisotopic Mass: 182.05905167
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C(C(OC1CO)O)F)O)O
Canonical SMILES:
OCC1OC(O)C([C@H]([C@H]1O)O)F
InChI:
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3?,4-,5+,6?/m0/s1
InChIKey:
ZCXUVYAZINUVJD-LPMQCSPOSA-N

Cite this record

CBID:165928 http://www.chembase.cn/molecule-165928.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S,5R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
IUPAC Traditional name
(4S,5R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
Synonyms
2-Deoxy-2-fluoro-D-galactose
CAS Number
51146-53-3
PubChem SID
162260061
PubChem CID
71315458

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D233000 external link Add to cart
PubChem 71315458 external link
Data Source Data ID Price
TRC
D233000 external link Add to cart Please log in.
Data Source Data ID
PubChem 71315458 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.021989  H Acceptors
H Donor LogD (pH = 5.5) -2.0414488 
LogD (pH = 7.4) -2.041551  Log P -2.0414474 
Molar Refractivity 34.2313 cm3 Polarizability 14.345064 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
131-135°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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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