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6027-89-0 molecular structure
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(4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

ChemBase ID: 169816
Molecular Formular: C6H12O6
Molecular Mass: 180.15588
Monoisotopic Mass: 180.0633881
SMILES and InChIs

SMILES:
C1([C@H]([C@H](C(C(O1)O)O)O)O)CO
Canonical SMILES:
OCC1OC(O)C([C@@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2?,3-,4-,5?,6?/m1/s1
InChIKey:
WQZGKKKJIJFFOK-ATJJXCEKSA-N

Cite this record

CBID:169816 http://www.chembase.cn/molecule-169816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
IUPAC Traditional name
(4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Synonyms
L-(+)-Gulose
L-Gulose
CAS Number
6027-89-0
PubChem SID
162263948
PubChem CID
71317182

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC G855200 external link Add to cart
PubChem 71317182 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 71317182 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.298101  H Acceptors
H Donor LogD (pH = 5.5) -2.93254 
LogD (pH = 7.4) -2.932594  Log P -2.9325392 
Molar Refractivity 35.9234 cm3 Polarizability 15.155883 Å3
Polar Surface Area 110.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G855200 external link
L-Gulose is an aldohexose sugar. L-Gulose very rarely occurs in nature but has been found in archaea, bacteria and eukaryotes. L-Gulose is not fermentable by yeast. L-Gulose also serves as a direct precursor of L-ascorbic acid in plant cells.

REFERENCES

REFERENCES

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  • • Swain, M. et al.: Biochim. Biophys. Acta, 1345, 56 (1997)
  • • Wolucka, B.A. et al.: J. Biol. Chem., 278, 47483 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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