5-(dithiolan-3-yl)pentanoic acid
CAS Number: 1077-28-7
Molecular Mass: 206.3 g/mol
Formula: C8H14O2S2
Smiles: O=C(O)CCCCC1CCSS1
Synonymes:
5-(dithiolan-3-yl)pentanoic acid, thioctic acid, alpha-Lipoic acid, 6,8-Thioctic acid, Biletan, alpha Lipoic Acid, DL-6,8-Thioctic acid, Thioctsan, thioctate, Thiocacid, Thioctan, Tioctic Acid, Acidum thiocticum, A-lipoicum acidum, Lipoic acid, dl-, Lipoic acid, alpha, biomolipon, AlphaLipogamma, biomo lipon, espa lipon, Alpha Lipogamma, Pleomix Alpha, Verla Lipon, AlphaLipon Stada, Alpha Lippon AL, Alpha Lipon Stada, Liponsaureratiopharm, NSC-90788, CHEBI:16494, 73Y7P0K73Y, alpha Liponsaure von ct, NSC-628502, espalipon, alphaVibolex, PleomixAlpha, VerlaLipon, alpha Vibolex, Thiogamma oral, PleomixAlpha N, AlphaLippon AL, Pleomix Alpha N, MTWAlphaliponsaure, Injekt, Thiogamma, Thioctic acid dl-, MTW Alphaliponsaure, Acid, alpha-Lipoic, Liponsaure ratiopharm, alphaLiponaure Heumann, alphaLiponsaure von ct, AlphaLiponsaure Sofotec, alpha Liponaure Heumann, Alpha Liponsaure Sofotec, Alpha Lipoic Acid 1 mg, RefChem:389317, PureVita Alpha Lipoic Acid, dl-Thioctic acid, 1077-28-7, lipoic acid, 5-(1,2-Dithiolan-3-yl)pentanoic acid, DL-alpha-Lipoic acid, 1,2-dithiolane-3-pentanoic acid, 62-46-4, Lipothion, Thioctacid, dl-Lipoic acid, 6-Thioctic acid, Liposan, Tioctacid, Rac-lipoate, 1,2-Dithiolane-3-valeric acid, DL-6-Thioctic acid, Thioctic acid dl-form, alpha-liponic acid, Tioctidasi, (RS)-Lipoic acid, 6,8-Dithiooctanoic acid, alpha-Liponsaeure, 5-(1,2-Dithiolan-3-yl)valeric acid, Thioktsaeure, (+-)-Lipoic acid, espa-lipon, Acetate-replacing factor, (+/-)-1,2-Dithiolane-3-pentanoic acid, MFCD00005474, 5-(Dithiolan-3-yl)valeric acid, .alpha.-Lipoic acid, DL-1,2-Dithiolane 3-valeric acid, DL-1,2-Dithiolane-3-valeric acid, Thioctic acid [JAN], Thioctansaeure, Thiooctic acid, a-lipoic acid, DL-.alpha.-Lipoic acid, lipoate, NSC 90788, C8H14O2S2, NSC 628502, (+-)-1,2-Dithiolane-3-pentanoic acid, .alpha.-Liponic acid, DL-6,8-DITHIOOCTANOIC ACID, DL-1,2-Dithiolan-3-valeriansaeure, (.+-.)-Lipoic acid, (RS)-.alpha.-Lipoic acid, CHEMBL33864, DTXSID7025508, (.+-.)-.alpha.-Lipoic acid, 1,2-DITHIOLANE-3-VALERIC ACID, (+-)-, NSC90788, rac a-Lipoic Acid, dl-1,2-Dithiolane-3-pentanoic acid, Thioctic acid (JAN), NCGC00016032-06, 5-[3-(1,2-dithiolanyl)]pentanoic acid, Protogen A, rac |A-Lipoic Acid-d5, 6,8-Thiotic acid, DTXCID705508, Thioktsaeure [German], Alipure, Thiotacid, Pyruvate oxidation factor, 6-Thiotic acid, alpha-Liponsaeure [German], alpha-lipon 300, SMR000058198, CAS-1077-28-7, (+-)-Thioctic acid, 5-(3-(1,2-DITHIOLANYL))PENTANOIC ACID, Tioctidasi acetate replacing factor, (R)-(+)-alpha-Lipoic acid, R-(+)-Thioctic acid, SR-01000737460, Lip(S2), (RS)-alpha-Lipoic acid, EINECS 200-534-6, EINECS 214-071-2, (+-)-alpha-lipoic acid, BRN 0081853, BRN 0122410, duralipon, Thioctsaeure, liponic acid, UNII-73Y7P0K73Y, Alpha-Lipogamma, Alphalipoic-acid, Thioctacide T, DL-1,2-Dithiolan-3-valeriansaeure [German], Thioctic acid [INN:BAN:JAN], HSDB 7818, D,L-Lipoic acid, Alpha-Lipon Stada, Thiotomin (TN), DL-a-Lipoic acid, Thioctic acid CRS, |_-Lipoic Acid, D,L-Thioctic acid, lipoic acid (LA), alpha -Lipoic Acid, Liponsaure-ratiopharm, rac ?-Lipoic Acid, (RS)-thioctic acid, (R)-a-Lipoic acid, LIPOIC-ACID, ()-alpha-Lipoic acid, Spectrum_001618, Thioctic acid, dl-form, (+/-)-thioctic acid, 1,2-Dithiolane-3-pentanoic acid, (+-)-, Spectrum2_001605, Spectrum3_001188, Spectrum4_000217, Spectrum5_001298, (+/-)-a-Lipoic acid, cid_864, (.+-.)-Thioctic acid, Lipoic acid, alpha [NF], bmse000542, Epitope ID:150922, (.+/-.)-Lipoic acid, THIOCTIC ACID [MI], R)-(+)-alpha-Lipoic acid, SCHEMBL51065, BSPBio_002835, KBioGR_000853, KBioSS_002098, THIOCTIC ACID [HSDB], 5-19-07-00237 (Beilstein Handbook Reference), MLS000069736, MLS001332379, MLS001332380, MLS002153365, DivK1c_000912, SPECTRUM1503941, SPBio_001609, THIOCTIC ACID [MART.], orb1304833, orb1310842, THIOCTIC ACID [WHO-DD], SCHEMBL27003112, BDBM10515, HMS502N14, HY-N0492R, KBio1_000912, KBio2_002098, KBio2_004666, KBio2_007234, KBio3_002335, A-LIPOICUM ACIDUM [HPUS], MSK1780, ALPHA LIPOIC ACID [VANDF], ALPHA-LIPOIC ACID [VANDF], NINDS_000912, thioctic acid (alpha-lipoic acid), Thioctic Acid, Alpha Lipoic Acid, GLXC-15365, HMS1922M22, HMS3649H08, HMS3885I16, HMS5082F13, HMS5082J13, HMS6018C15, Pharmakon1600-01503941, THIOCTIC ACID, (+/-)-, ALBB-030318, ALPHA LIPOIC ACID [USP-RS], HY-N0492, MSK10003, THIOCTIC ACID DL-FORM [MI], Tox21_110285, Tox21_201808, Tox21_303092, AC7875, BBL013878, CCG-39063, EBC-03318, NSC628502, NSC758651, s3996, SBB003484, STK801969, THIOCTIC ACID [EP MONOGRAPH], ()-1,2-Dithiolane-3-pentanoic acid, AKOS000121582, AKOS016339634, EINECS 267-931-4, , Tox21_110285_1, AB09328, CS-4370, FL00461, KS-1322, NSC-758651, SB49517, IDI1_000912, Thioctic acid containing impurity B CRS, (+/-)-1,2-Dithiolane-3-valeric acid, ALPHA LIPOIC ACID [USP IMPURITY], NCGC00016032-02, NCGC00016032-03, NCGC00016032-04, NCGC00016032-05, NCGC00016032-07, NCGC00016032-08, NCGC00016032-09, NCGC00016032-11, NCGC00016032-14, NCGC00090872-01, NCGC00090872-02, NCGC00090872-03, NCGC00090872-04, NCGC00090872-05, NCGC00256970-01, NCGC00259357-01, Thioctic acid for system suitability CRS, (+/-)-alpha-Lipoic acid, >=98.0%, .ALPHA.-LIPOIC ACID, (+/-)-, 2-Methyl-3(5 or 6)-methylthio-pyrazine, AC-22673, BP-31070, NCI60_042014, R)-(+)-|A-Lipoic acid OOEthyAoEthAEa, R-(+)-1,2-Dithiolane-3-pentanoic acid, ST073359, SY010902, SBI-0051871.P002, 5-(1,2-Dithiolan-3-yl)pentanoic acid #, DB-050522, 1,2-Dithiolane-3-pentanoic acid, (+/-)-, 1,2-Dithiolane-3-valeric acid, (.+-.)-, CS-0694773, L0058, NS00001602, 1,2-Dithiolane-3-pentanoic acid, (.+-.)-, 1,2-Dithiolane-3-valeric acid, (.+/-.)-, EN300-17612, 1,2-Dithiolane-3-pentanoic acid, (.+/-.)-, C00725, D00086, AB00052393_09, F079457, Q312229, 1,2-Dithiolane-3-pentanoic acid, (+-)- (9CI), J-520421, SR-01000737460-2, SR-01000737460-6, 5-((3RS)-1,2-DITHIOLAN-3-YL)PENTANOIC ACID, BRD-A16347691-001-13-1, Z56969297, F2191-0208, .DELTA.-(3-(1,2-DITHIACYCLOPENTYL))PENTANOIC ACID, Thioctic acid, European Pharmacopoeia (EP) Reference Standard, (+/-)-alpha-Lipoic acid, BioReagent, cell culture tested, >=99%, (+/-)-alpha-Lipoic acid, synthetic, >=99% (titration), powder, 1,2-Dithiolane-3-pentanoic acid, 5-(1,2-Dithiolan-3-yl)valeric acid, Alpha Lipoic Acid, United States Pharmacopeia (USP) Reference Standard, Thioctic acid containing impurity B, European Pharmacopoeia (EP) Reference Standard, Thioctic acid for system suitability, European Pharmacopoeia (EP) Reference Standard
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Cyclohexane | 283.15 | - | 1.372 | [484] |
| Cyclohexane | 288.15 | - | 2.519 | [484] |
| Cyclohexane | 293.15 | - | 4.745 | [484] |
| Cyclohexane | 298.15 | - | 5.976 | [484] |
| Cyclohexane | 303.15 | - | 10.66 | [484] |
| Cyclohexane | 308.15 | - | 15.9 | [484] |
| Cyclohexane | 313.15 | - | 25.83 | [484] |
| Cyclohexane | 316.15 | - | 34.1 | [484] |
| Cyclohexane | 318.15 | - | 41.22 | [484] |
| Ethyl acetate | 273.15 | - | 100.8 | [484] |
| Ethyl acetate | 278.15 | - | 136.5 | [484] |
| Ethyl acetate | 283.15 | - | 175.2 | [484] |
| Ethyl acetate | 288.15 | - | 236.3 | [484] |
| Ethyl acetate | 293.15 | - | 318.8 | [484] |
| Ethyl acetate | 298.15 | - | 455.1 | [484] |
| Heptane | 303.35 | - | 2.883 | [484] |
| Heptane | 308.05 | - | 3.935 | [484] |
| Heptane | 312.55 | - | 5.627 | [484] |
| Heptane | 317.95 | - | 13.32 | [484] |
| Hexane | 303.15 | - | 2.713 | [484] |
| Hexane | 308.75 | - | 4.056 | [484] |
| Hexane | 313.15 | - | 5.869 | [484] |
| Hexane | 318.55 | - | 12.79 | [484] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 314.7005 |
| PMI2 | 1794.4511 |
| PMI3 | 1862.1359 |
| NPR1 | 0.1690 |
| NPR2 | 0.9637 |
| RadiusOfGyration | 3.1022 |
| InertialShapeFactor | 0.0031 |
| Eccentricity | 0.9856 |
| Asphericity | 0.5819 |
| SpherocityIndex | 0.2837 |
| PBF | 0.7834 |