Cas no 88543-34-4 (Idebenone Impurity D)
Idebenone Impurity D structure
Product Name:Idebenone Impurity D
CAS No:88543-34-4
MF:C18H28O5
MW:324.411926269531
CID:629212
Update Time:2023-11-18
Idebenone Impurity D Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2-hydroxy-5-(10-hydroxydecyl)-3-methoxy-6-methyl-
- CID 138111762
- Idebenone Impurity D
- Idebenone Impurity HMD-1
- Idebenone Impurity 16
- 2-Hydroxy-5-(10-hydroxydecyl)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
- 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-(10-hydroxydecyl)-3-methoxy-6-methyl-
-
- Inchi： 1S/C18H28O5/c1-13-14(16(21)18(23-2)17(22)15(13)20)11-9-7-5-3-4-6-8-10-12-19/h19,22H,3-12H2,1-2H3
- InChI Key： JRBMOXLLQGVEIV-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCC1C(C(=C(C(C=1C)=O)O)OC)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 11
- Complexity: 488
- Topological Polar Surface Area: 83.8
Experimental Properties
- Density: 1.12±0.1 g/cm3(Predicted)
- Boiling Point: 476.4±45.0 °C(Predicted)
- pka: 3.63±0.50(Predicted)
Idebenone Impurity D Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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