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644-76-8 molecular structure
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(2R,3S,5S)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

ChemBase ID: 160666
Molecular Formular: C6H10O5
Molecular Mass: 162.1406
Monoisotopic Mass: 162.05282342
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C([C@@H]2OC1CO2)O)O)O
Canonical SMILES:
O[C@H]1[C@@H](O)C2CO[C@H](C1O)O2
InChI:
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2?,3-,4-,5?,6-/m0/s1
InChIKey:
TWNIBLMWSKIRAT-DTUOTYQVSA-N

Cite this record

CBID:160666 http://www.chembase.cn/molecule-160666.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,5S)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
IUPAC Traditional name
(2R,3S,5S)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Synonyms
6,8-Dioxa-bicyclo[3.2.1]octane-2,3,4-triol
1,6-Αnhydro-β-D-galactopyranose
D-Galactosan
Levogalactosan
1,6-Anhydro-β-D-galactose
CAS Number
644-76-8
PubChem SID
162254801
PubChem CID
45038169

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A641000 external link Add to cart
PubChem 45038169 external link
Data Source Data ID Price
TRC
A641000 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038169 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.212605  H Acceptors
H Donor LogD (pH = 5.5) -1.7708358 
LogD (pH = 7.4) -1.7708423  Log P -1.7708356 
Molar Refractivity 32.4133 cm3 Polarizability 13.814454 Å3
Polar Surface Area 79.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Light Beige to Pale Yellow Solid expand Show data source
Melting Point
167-169°C (dec.) expand Show data source
Storage Condition
-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 - A641000 external link
1,6-Anhydro-β-D-glucopyranose is a carbohydrate contains in liquid smoke flavorings.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kim, K., et al.: Agric. Biol. Chem., 38, 53 (1974)
  • • Guillen, M., et al.: Food Chem., 58, 97 (1974)
  • • Guillen, M., et al.: J. Agric. Food Chem., 46, 1276 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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