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6107-83-1 molecular structure
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tris(λ2-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate) trihydrate

ChemBase ID: 295171
Molecular Formular: C12H16O17Pb3
Molecular Mass: 1053.84524
Monoisotopic Mass: 1055.96870505
SMILES and InChIs

SMILES:
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Pb+2].[Pb+2].[Pb+2]
Canonical SMILES:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.O.O.O.[Pb+2].[Pb+2].[Pb+2]
InChI:
InChI=1S/2C6H8O7.3H2O.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H2;;;/q;;;;;3*+2/p-6
InChIKey:
GMPMGSCJCDAUMP-UHFFFAOYSA-H

Cite this record

CBID:295171 http://www.chembase.cn/molecule-295171.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(λ2-lead(2+) ion) bis(2-hydroxypropane-1,2,3-tricarboxylate) trihydrate
IUPAC Traditional name
tris(λ2-lead(2+) ion) dicitrate trihydrate
Synonyms
Citric acid lead(II) salt trihydrate
Lead(II) citrate trihydrate
柠檬酸铅(II)三水合物
CAS Number
6107-83-1
EC Number
208-141-1
MDL Number
MFCD00150456
PubChem SID
180680702
PubChem CID
2735068

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 2735068 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0479515  H Acceptors
H Donor LogD (pH = 5.5) -4.949584 
LogD (pH = 7.4) -9.468992  Log P -1.3226875 
Molar Refractivity 68.1352 cm3 Polarizability 14.119506 Å3
Polar Surface Area 140.62 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in cold water expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN2291 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
61-62-20/22-33-50/53 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H360-H373-H400-H410-H302-H332 expand Show data source
GHS Precautionary statements
P260-P261-P281-P304+P340-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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