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Coenzyme Q10
CAS: 303-98-0 | C59H90O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
303-98-0
Molecular Formula:
C59H90O4
Molecular Mass:
863.36 g/mol
Names and Synonyms:
Coenzyme Q10
2,5-Cyclohexadiene-1,4-dione, 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-
Coenzyme Q10
2,5-Cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-, (all-E)-
p-Benzoquinone, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-
2,5-Cyclohexadiene-1,4-dione, 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl]-5,6-dimethoxy-3-methyl-
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
Ubiquinone 50
CoQ10
Ubidecarenone
Ubiquinone 10
Ubiquinone Q10
Neuquinon
Neuquinone
Bio-Quinon
Ensorb
Bio-Quinone Q10
NSC 140865
(all-E)-2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
Kudesan
Q-Gel 100
Q 10AA
Unispheres Q 10
Kaneka Q10
Aqua Q 10L10
Aqua Q10
Q-Gel
Liquid-Q
Li-Q-Sorb
PureSorb Q 40
Vitamin Q
Cosmesome Q 10
Q-absorb
Cudesan
Adelir
Aqua-Q 10P40
Coenzyme Qter
Q-ter
BPM 31510
API 31510
Identifiers:
SMILES:
COC1=C(OC)C(=O)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(C)C1=O
InChI:
InChI=1S/C59H90O4/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/h24,26,28,30,32,34,36,38,40,42H,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+
Key Properties
Melting Point
48-50 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 863.36 g/mol | CAS Common Chemistry |
| 863.3649999999996 g/mol | RDKit | |
| 862.68391136 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Coenzyme_Q10 | CAS Common Chemistry |
| Canonical SMILES | O=C1C(OC)=C(OC)C(=O)C(=C1C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C59H90O4/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/h24,26,28,30,32,34,36,38,40,42H,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+ | CAS Common Chemistry |
| InChI Key | InChIKey=ACTIUHUUMQJHFO-UPTCCGCDSA-N | CAS Common Chemistry |
| Melting Point | 48-50 °C | CAS Common Chemistry |
| Name | Coenzyme Q10 | CAS Common Chemistry |
| Heavy Atom Count | 63 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 31 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 17.853899999999975 | RDKit |
| Molar Refractivity | 274.7249999999994 | RDKit |
