Showing Metabocard for ubiquinol-10 (BASm0004540)
| Common Name | Ubiquinol-10 |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C59H92O4 |
| Average Mass | 865.35940 |
| Monoisotopic Mass | 864.69956 |
| IUPAC Name | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol |
| Traditional Name | 2-[(2e,6e,10e,14e,18e,22e,26e,30e,34e)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol |
| CAS Registry Number | 5677-55-4 |
| SMILES | COc1c(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1OC |
| InChI Identifier | InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+ |
| InChI Key | QNTNKSLOFHEFPK-UPTCCGCDSA-N |
| CHEBI ID | CHEBI:64183 |
| HMDB ID | HMDB0013111 |
| State | Not Available |
| Water Solubility | 2.33e-04 g/l |
| logP | 9.68 |
| logS | -6.57 |
| pKa (Strongest Acidic) | 10.27 |
| pKa (Strongest Basic) | -4.66 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 58.92 Ų |
| Rotatable Bond Count | 31 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 286.45 m³·mol⁻¹ |
| Polarizability | 112.46 |