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6505-50-6 molecular structure
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[(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate

ChemBase ID: 158519
Molecular Formular: C6H16MnO9
Molecular Mass: 287.123889
Monoisotopic Mass: 287.01747719
SMILES and InChIs

SMILES:
CC(C(=O)O[Mn]OC(=O)C(C)O)O.O.O.O
Canonical SMILES:
CC(C(=O)O[Mn]OC(=O)C(O)C)O.O.O.O
InChI:
InChI=1S/2C3H6O3.Mn.3H2O/c2*1-2(4)3(5)6;;;;/h2*2,4H,1H3,(H,5,6);;3*1H2/q;;+2;;;/p-2
InChIKey:
CUEZZHPBGFRWNY-UHFFFAOYSA-L

Cite this record

CBID:158519 http://www.chembase.cn/molecule-158519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate
IUPAC Traditional name
[(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate
Synonyms
Manganese(II) lactate trihydrate
2-羟基丙酸锰盐 三水合物
CAS Number
6505-50-6
EC Number
240-182-0
MDL Number
MFCD00150481
Beilstein Number
6118575
PubChem SID
162252655
24848044
PubChem CID
71312651

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
13227 external link Add to cart Please log in.
Data Source Data ID
PubChem 71312651 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.747701  H Acceptors
H Donor LogD (pH = 5.5) -1.1996 
LogD (pH = 7.4) -1.199602  Log P -1.1996 
Molar Refractivity 35.8244 cm3 Polarizability 17.982311 Å3
Polar Surface Area 93.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
pH
5-7 (20 °C, 5%) expand Show data source
MSDS Link
Download expand Show data source
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
Purity
≥99% expand Show data source
Grade
puriss. expand Show data source
Impurities
≤0.002% heavy metals (as Pb) expand Show data source
Cation Traces
Fe: ≤20 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Linear Formula
(C3H5O3)2Mn · 3H2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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