35922-06-6

Name (1R,2R)-B13
CAS 35922-06-6
Molecular Formula C23H38N2O5
MDL Number MFCD08062172
Molecular Weight 422.56
MOL File 35922-06-6.mol
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Chemical Properties

Boiling point  636.2±55.0 °C(Predicted)
density  1.101±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): .3 mg/ml
form  A crystalline solid
pka 12.72±0.20(Predicted)
color  white to beige
Optical Rotation [α]/D -28 to -34, c =0.1 in chloroform-d
InChI 1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
InChIKey XUSDVLHKNBOGJY-FYYLOGMGSA-N
SMILES [N+](=O)([O-])c1ccc(cc1)[C@@H](O)[C@H](NC(=O)CCCCCCCCCCCCC)CO

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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