Home > Compound List > Compound details
103213-46-3 molecular structure
click picture or here to close

{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid sodium

ChemBase ID: 132974
Molecular Formular: C6H13NaO9P
Molecular Mass: 283.125551
Monoisotopic Mass: 283.01948791
SMILES and InChIs

SMILES:
C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O.[Na]
Canonical SMILES:
OCC1OC(C(C1O)O)(O)COP(=O)(O)O.[Na]
InChI:
InChI=1S/C6H13O9P.Na/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13;/h3-5,7-10H,1-2H2,(H2,11,12,13);
InChIKey:
WUTTYKYHNBHVOM-UHFFFAOYSA-N

Cite this record

CBID:132974 http://www.chembase.cn/molecule-132974.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid sodium
IUPAC Traditional name
fructose 1-phosphate sodium
Synonyms
D-Fructose 1-phosphate sodium salt
CAS Number
103213-46-3
MDL Number
MFCD00069681
PubChem SID
162227251
24894748
PubChem CID
16219348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
F1127 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.161327  H Acceptors
H Donor LogD (pH = 5.5) -5.333614 
LogD (pH = 7.4) -6.4658937  Log P -2.8815653 
Molar Refractivity 47.2337 cm3 Polarizability 19.793747 Å3
Polar Surface Area 156.91 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
amorphous powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source

DETAILS

DETAILS

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