Home > Compound List > Compound details
72561-26-3 molecular structure
click picture or here to close

(4R,5S)-6-(hydroxymethyl)(2-14C)oxane-2,4,5-triol

ChemBase ID: 165960
Molecular Formular: C6H12O5
Molecular Mass: 166.14902199
Monoisotopic Mass: 166.07171547
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C[14CH](OC1CO)O)O)O
Canonical SMILES:
OCC1O[14CH](O)C[C@H]([C@@H]1O)O
InChI:
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5?,6+/m1/s1/i5+2
InChIKey:
PMMURAAUARKVCB-NMZLTLNISA-N

Cite this record

CBID:165960 http://www.chembase.cn/molecule-165960.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R,5S)-6-(hydroxymethyl)(2-14C)oxane-2,4,5-triol
IUPAC Traditional name
(4R,5S)-6-(hydroxymethyl)(2-14C)oxane-2,4,5-triol
Synonyms
2-Deoxy-D-arabino-hexose-14C(U)
2-Deoxy-D-glucose-14C(U)
CAS Number
72561-26-3
PubChem SID
162260093
PubChem CID
45038824

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D239030 external link Add to cart
PubChem 45038824 external link
Data Source Data ID Price
TRC
D239030 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038824 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.294304  H Acceptors
H Donor LogD (pH = 5.5) -2.0319011 
LogD (pH = 7.4) -2.0319066  Log P -2.0319011 
Molar Refractivity 34.4127 cm3 Polarizability 14.43744 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
Water expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
152-154°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D239030 external link
Spectific activity 300-360mCi/mm

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle