1069132-37-1

Name GLYCODEOXYCHOLIC-2,2,4,4-D4 ACID
CAS 1069132-37-1
Molecular Formula C26H39D4NO5
MDL Number MFCD06658888
Molecular Weight 453.65
MOL File 1069132-37-1.mol
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Chemical Properties

Boiling point  655.572±50.00 °C(Press: 760.00 Torr)(predicted)
density  1.162±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
form  Solid
pka 3.582±0.10(predicted)
color  White to Off-White
InChIKey WVULKSPCQVQLCU-JHVXYEQYSA-N
SMILES [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O
CAS Number Unlabeled 360-65-6

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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