2479-90-5

Name 1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3(O->1BETA)-D-GLYCOPYRANOSIDURONIC ACID
CAS 2479-90-5
Molecular Formula C24H30O8
MDL Number MFCD00271560
Molecular Weight 446.49
MOL File 2479-90-5.mol
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Chemical Properties

Melting point  254.5
Boiling point  703.8±60.0 °C(Predicted)
density  1.419±0.06 g/cm3(Predicted)
form  powder
pka 2.80±0.70(Predicted)
color  white to off-white
Major Application metabolomics
InChIKey FJAZVHYPASAQKM-JBAURARKSA-N
SMILES C[C@@]12[C@](CCC2=O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)C=C4CC3
EPA Substance Registry System .beta.-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl (2479-90-5)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P302+P352-P362+P364
HS Code  2938909090

Hazard Information

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