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24656-24-4 molecular structure
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(4S,5R)-6-(hydroxymethyl)-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2,4,5-triol

ChemBase ID: 169484
Molecular Formular: C12H22O10
Molecular Mass: 326.29708
Monoisotopic Mass: 326.1212969
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C(C(OC1CO)O)O[C@H]1C([C@@H]([C@@H](C(O1)C)O)O)O)O)O
Canonical SMILES:
OCC1OC(O)C([C@H]([C@H]1O)O)O[C@@H]1OC(C)[C@H]([C@H](C1O)O)O
InChI:
InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3?,4?,5-,6+,7+,8+,9?,10?,11?,12+/m1/s1
InChIKey:
VSRVRBXGIRFARR-IFBIAYTPSA-N

Cite this record

CBID:169484 http://www.chembase.cn/molecule-169484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S,5R)-6-(hydroxymethyl)-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2,4,5-triol
IUPAC Traditional name
(4S,5R)-6-(hydroxymethyl)-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2,4,5-triol
Synonyms
2-O-(6-Deoxy-α-L-galactopyranosyl)-D-galactose
Blood Group H Disaccharide
Fuc1-α-2Gal
2-O-α-L-Fucopyranosyl-D-galactose
CAS Number
24656-24-4
PubChem SID
162263616
PubChem CID
71316999

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F823500 external link Add to cart
PubChem 71316999 external link
Data Source Data ID Price
TRC
F823500 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316999 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.269029  H Acceptors 10 
H Donor LogD (pH = 5.5) -3.6564655 
LogD (pH = 7.4) -3.6565235  Log P -3.6564648 
Molar Refractivity 66.793 cm3 Polarizability 28.251106 Å3
Polar Surface Area 169.3 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
White Foam 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 - F823500 external link
A new type of β-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Feizi, T., et al.: Nature, 314, 53 (1985)
  • • Otter, A., et al.: Eur. J. Biochem., 259, 295 (1985)
  • • Fujihashi, M., et al.: Biochemistry, 42, 11093 (1985)
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PATENTS

PATENTS

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INTERNET

INTERNET

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