dichlorocadmium; {2-[(2,3-dihydroxypropyl phosphonato)oxy]ethyl}trimethylazanium

• ChemBase ID: 102180
• Molecular Formular: C8H20CdCl2NO6P
• Molecular Mass: 440.538261
• Monoisotopic Mass: 440.94388736
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 64681-08-9
• EC Number: 265-010-1
• PubChem SID: 162088607
• PubChem CID: 11305256

CALCULATED PROPERTIES

• Acid pKa: 1.8553451
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7048078
• LogD (pH = 7.4): -3.7047117
• Log P: -5.7283115
• Molar Refractivity: 68.6823 cm^3
• Polarizability: 23.408195 Å^3
• Polar Surface Area: 99.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Packing Group: None
• Risk Statements: R:20/21/22-50/53
• Safety Statements: S:60-61

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02100487

From Egg Yolk
Crystalline
Purity: ~ 98%