Home > Compound List > Compound details
67952-42-5 molecular structure
click picture or here to close

manganese(2+) ion 2,3-dihydroxybutanedioate

ChemBase ID: 108060
Molecular Formular: C4H4MnO6
Molecular Mass: 203.009009
Monoisotopic Mass: 202.93883295
SMILES and InChIs

SMILES:
[Mn+2].OC(C(O)C(=O)[O-])C(=O)[O-]
Canonical SMILES:
OC(C(C(=O)[O-])O)C(=O)[O-].[Mn+2]
InChI:
InChI=1S/C4H6O6.Mn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2
InChIKey:
LAYZVIPDEOEIDY-UHFFFAOYSA-L

Cite this record

CBID:108060 http://www.chembase.cn/molecule-108060.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
manganese(2+) ion 2,3-dihydroxybutanedioate
IUPAC Traditional name
manganese(2+) ion tartrate
Synonyms
MANGANESE TARTRATE
CAS Number
67952-42-5
EC Number
267-896-5
PubChem SID
162093802
PubChem CID
22027285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05205917 external link Add to cart Please log in.
Data Source Data ID
PubChem 22027285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.719041  H Acceptors
H Donor LogD (pH = 5.5) -5.323427 
LogD (pH = 7.4) -7.890869  Log P -1.8287998 
Molar Refractivity 47.8876 cm3 Polarizability 10.630576 Å3
Polar Surface Area 120.72 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