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NISTC15503874 Structure

NISTC15503874

Chemical Properties

Melting point 178-180℃
Boiling point 583.2±50.0 °C(Predicted)
Density  1.32±0.1 g/cm3 (20 ºC 760 Torr)
solubility  DMF: insol; DMSO: 1 mg/ml; Ethanol: insol; PBS (pH 7.2): 5 mg/ml
form  A solid
pka 12.00±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1
InChIKey BCJMNZRQJAVDLD-FXGRWVCYSA-N
SMILES N12CC=C3COC(=O)[C@@](O)(CO)[C@H](C)C/C(=C\C)/C(=O)O[C@@]([H])([C@]13[H])CC2
CAS DataBase Reference 15503-87-4

Usage And Synthesis

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