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64681-08-9 molecular structure
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dichlorocadmium; {2-[(2,3-dihydroxypropyl phosphonato)oxy]ethyl}trimethylazanium

ChemBase ID: 102180
Molecular Formular: C8H20CdCl2NO6P
Molecular Mass: 440.538261
Monoisotopic Mass: 440.94388736
SMILES and InChIs

SMILES:
C[N+](C)(C)CCOP(=O)([O-])OCC(O)CO.Cl[Cd]Cl
Canonical SMILES:
OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O.Cl[Cd]Cl
InChI:
InChI=1S/C8H20NO6P.Cd.2ClH/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10;;;/h8,10-11H,4-7H2,1-3H3;;2*1H/q;+2;;/p-2
InChIKey:
RCOWLNSSDOITMP-UHFFFAOYSA-L

Cite this record

CBID:102180 http://www.chembase.cn/molecule-102180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichlorocadmium; {2-[(2,3-dihydroxypropyl phosphonato)oxy]ethyl}trimethylazanium
IUPAC Traditional name
cadmium chloride; {2-[(2,3-dihydroxypropyl phosphonato)oxy]ethyl}trimethylazanium
Synonyms
L-α-GLYCEROPHOSPHORYL CHOLINE, CADMIUM CHLORIDE COMPLEX
CAS Number
64681-08-9
EC Number
265-010-1
PubChem SID
162088607
PubChem CID
11305256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02100487 external link Add to cart Please log in.
Data Source Data ID
PubChem 11305256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8553451  H Acceptors
H Donor LogD (pH = 5.5) -3.7048078 
LogD (pH = 7.4) -3.7047117  Log P -5.7283115 
Molar Refractivity 68.6823 cm3 Polarizability 23.408195 Å3
Polar Surface Area 99.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Packing Group
None expand Show data source
Risk Statements
R:20/21/22-50/53 expand Show data source
Safety Statements
S:60-61 expand Show data source
Purity
~98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02100487 external link
From Egg Yolk
Crystalline
Purity: ~ 98%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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