Home > Compound List > Compound details
70442-25-0 molecular structure
click picture or here to close

[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]phosphonic acid sodium

ChemBase ID: 133999
Molecular Formular: C6H13NaO9P
Molecular Mass: 283.125551
Monoisotopic Mass: 283.01948791
SMILES and InChIs

SMILES:
C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O.[Na]
Canonical SMILES:
O=CC(C(C(C(COP(=O)(O)O)O)O)O)O.[Na]
InChI:
InChI=1S/C6H13O9P.Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);
InChIKey:
TZQUTLWZPHPOSF-UHFFFAOYSA-N

Cite this record

CBID:133999 http://www.chembase.cn/molecule-133999.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]phosphonic acid sodium
IUPAC Traditional name
glucose-6-phosphate sodium
Synonyms
D-Mannose 6-phosphate sodium salt
CAS Number
70442-25-0
MDL Number
MFCD00135859
PubChem SID
162228276
24896863
PubChem CID
16219648

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M3655 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219648 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4919091  H Acceptors
H Donor LogD (pH = 5.5) -6.09798 
LogD (pH = 7.4) -6.990311  Log P -3.6919265 
Molar Refractivity 48.2185 cm3 Polarizability 19.885412 Å3
Polar Surface Area 164.75 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (enzymatic) 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