21562-57-2

Name 1,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-9-ONE
CAS 21562-57-2
Molecular Formula C20H36O4
MDL Number MFCD00135206
Molecular Weight 340.5
MOL File 21562-57-2.mol
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Chemical Properties

Boiling point  489.2±45.0 °C(Predicted)
density  1.077±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 25 mg/ml; DMSO: 20 mg/ml; Ethanol: 25 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 1 mg/ml
form  A crystalline solid
pka 13.85±0.60(Predicted)
InChI 1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
InChIKey CMHCOGHTKXUQKW-KOAZGICHSA-N
SMILES O[C@@H](C1/C=C/[C@H](CCCCC)O)CC([C@@H]1CCCCCCCO)=O

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
Signal word  Danger
Hazard statements  H300+H310+H330-H315-H319-H335
Precautionary statements  P260-P262-P264-P270-P271-P280-P284-P301+P310-P330-P302+P352-P304+P340-P305+P351+P338-P312-P320-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

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