Home > Compound List > Compound details
6591-53-3 molecular structure
click picture or here to close

bismuth(3+) ion tris(2-hydroxypropanoate)

ChemBase ID: 108932
Molecular Formular: C9H15BiO9
Molecular Mass: 476.1904
Monoisotopic Mass: 476.05200506
SMILES and InChIs

SMILES:
[Bi+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
Canonical SMILES:
CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Bi+3]
InChI:
InChI=1S/3C3H6O3.Bi/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKey:
ZDHGGOUPMGSLBR-UHFFFAOYSA-K

Cite this record

CBID:108932 http://www.chembase.cn/molecule-108932.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bismuth(3+) ion tris(2-hydroxypropanoate)
IUPAC Traditional name
bismuth(3+) ion trilactate
Synonyms
BISMUTH LACTATE
CAS Number
6591-53-3
PubChem SID
162095669
PubChem CID
21716098

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05209277 external link Add to cart Please log in.
Data Source Data ID
PubChem 21716098 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7849424  H Acceptors
H Donor LogD (pH = 5.5) -2.1885695 
LogD (pH = 7.4) -3.7410624  Log P -0.4718295 
Molar Refractivity 29.6769 cm3 Polarizability 7.4274864 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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