| Phytochemical Name : Thioctic acid |
| PCNDIDT0054 |
| Pubchem CID : 864 |
| Molecular formula: C8H14O2S2 |
| Canonical SMILES : C1CSSC1CCCCC(=O)O |
Synonymes : dl-Thioctic acid|thioctic acid|1077-28-7|alpha-Lipoic acid|lipoic acid|5-(1,2-Dithiolan-3-yl)pentanoic acid|1,2-dithiolane-3-pentanoic acid|DL-alpha-Lipoic acid|62-46-4|alpha Lipoic Acid|Biletan|6,8-Thioctic acid|Thioctacid|DL-6,8-Thioctic acid|6-Thioctic acid|Lipothion|dl-Lipoic acid|Liposan|Thioctsan|Tioctacid|Rac-lipoate|1,2-Dithiolane-3-valeric acid|6,8-Dithiooctanoic acid|alpha-Liponsaeure|DL-6-Thioctic acid|5-(dithiolan-3-yl)pentanoic acid|Thioctic acid dl-form|alpha-liponic acid|Thioktsaeure|Tioctidasi|(RS)-Lipoic acid|5-(1,2-Dithiolan-3-yl)valeric acid|espa-lipon|Acetate-replacing factor|6,8-Thiotic acid|Thioctansaeure|5-(Dithiolan-3-yl)valeric acid|(+-)-Lipoic acid|Protogen A|6-Thiotic acid|.alpha.-Lipoic acid|DL-1,2-Dithiolane 3-valeric acid|Thioktsaeure [German]|thioctate|Thioctic acid [JAN]|Thioctidase|Thioctsaeure|Alipure|Thiocacid|Thiotacid|liponic acid|Thiooctic acid|Pyruvate oxidation factor|Lip(S2)|a-lipoic acid|DL-.alpha.-Lipoic acid|Acidum thiocticum|Thiooctanoic acid|(+/-)-1,2-Dithiolane-3-pentanoic acid|A-lipoicum acidum|alpha-Liponsaeure [German]|DL-1,2-Dithiolane-3-valeric acid|lipoate|MFCD00005474|NSC 90788|alpha-lipon 300|Lipoic acid, alpha|Lipoic acid, dl-|NSC 628502|(+-)-1,2-Dithiolane-3-pentanoic acid|.alpha.-Liponic acid|CHEBI:16494|(+-)-Thioctic acid|Tioctidasi acetate replacing factor|C8H14O2S2|(RS)-alpha-Lipoic acid|DL-1,2-Dithiolan-3-valeriansaeure|(.+-.)-Lipoic acid|EINECS 200-534-6|EINECS 214-071-2|(+-)-alpha-lipoic acid|NSC-90788|(RS)-.alpha.-Lipoic acid|BRN 0081853|BRN 0122410|5-[3-(1,2-dithiolanyl)]pentanoic acid|CHEMBL33864|UNII-73Y7P0K73Y|Thioctic acid [INN:BAN:JAN]|DL-1,2-Dithiolan-3-valeriansaeure [German]|DTXSID7025508|(.+-.)-.alpha.-Lipoic acid|HSDB 7818|73Y7P0K73Y|1,2-DITHIOLANE-3-VALERIC ACID, (+-)-|NSC90788|NSC-628502|Thioctic acid (JAN)|NCGC00016032-06|1,2-Dithiolane-3-pentanoic acid, (+-)-|(+/-)-alpha-Lipoic acid|5-19-07-00237 (Beilstein Handbook Reference)|DTXCID705508|biomolipon|duralipon|AlphaLipogamma|biomo lipon|espa lipon|Alpha Lipogamma|Alpha-Lipogamma|DL-Thiocticacid|Pleomix Alpha|Thioctacide T|Verla Lipon|AlphaLipon Stada|Alpha Lippon AL|Alpha Lipon Stada|Alpha-Lipon Stada|5-(1,2)Dithiolan-3-yl-pentanoic acid|5-[1,2]Dithiolan-3-yl-pentanoic acid|Liponsaureratiopharm|acetate replacing factor|SMR000058198|CAS-1077-28-7|Liponsaure-ratiopharm|5-(3-(1,2-DITHIOLANYL))PENTANOIC ACID|alpha Liponsaure von ct|(R)-(+)-alpha-Lipoic acid;R-(+)-Thioctic acid|SR-01000737460|DL-6,8-DITHIOOCTANOIC ACID|DRG-0236|Alpha Lipoic|Alphalipoic-acid|C8-H14-O2-S2|5-(1,2-dithiolan-3-yl)valerianesyre|alpha-lipoic-acid|D,L-Lipoic acid|Thiotomin (TN)|DL-a-Lipoic acid|D,L-Thioctic acid|lipoic acid (LA)|alpha -Lipoic Acid|rac ?-Lipoic Acid|(RS)-thioctic acid|LIPOIC-ACID|()-alpha-Lipoic acid|Spectrum_001618|5-(1,2-dithiolan-3-yl)-pentanoate|delta-[3-(1,2-dithiacyclopentyl)]pentanoic acid|Thioctic acid, dl-form|R-(+)-alpaLipoic acid|Spectrum2_001605|Spectrum3_001188|Spectrum4_000217|Spectrum5_001298|(S)-(-)-Thiocticacid|(+/-)-a-Lipoic acid|cid_864|(.+-.)-Thioctic acid|Lipoic acid, alpha [NF]|bmse000542|D0P6PQ|Epitope ID:150922|(+/-)-?-Lipoic acid|(.+/-.)-Lipoic acid|THIOCTIC ACID [MI]|SCHEMBL51065|BSPBio_002835|KBioGR_000853|KBioSS_002098|THIOCTIC ACID [HSDB]|THIOCTIC ACID [INCI]|MLS000069736|MLS001332379|MLS001332380|MLS002153365|DivK1c_000912|SPECTRUM1503941|SPBio_001609|THIOCTIC ACID [MART.]|THIOCTIC ACID [WHO-DD]|BDBM10515|HMS502N14|KBio1_000912|KBio2_002098|KBio2_004666|KBio2_007234|KBio3_002335|A-LIPOICUM ACIDUM [HPUS]|ALPHA LIPOIC ACID [VANDF]|ALPHA-LIPOIC ACID [VANDF]|NINDS_000912|thioctic acid (alpha-lipoic acid)|HMS1922M22|HMS3649H08|HMS3885I16|Pharmakon1600-01503941|THIOCTIC ACID, (+/-)-|ALPHA LIPOIC ACID [USP-RS]|BCP13221|BCP14048|BCP18944|HY-N0492|THIOCTIC ACID DL-FORM [MI]|Tox21_110285|Tox21_201808|Tox21_303092|AC7875|BBL013878|CCG-39063|dl-1,2-Dithiolane-3-pentanoic acid|LS-448|NSC628502|NSC758651|s3996|STK801969|THIOCTIC ACID [EP MONOGRAPH]|()-1,2-Dithiolane-3-pentanoic acid|AKOS000121582|AKOS016339634|Tox21_110285_1|AB09328|AM84329|CS-4370|KS-1322|NSC-758651|SB49517|IDI1_000912|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|(+/-)-alpha-Lipoic acid, >=98.0%|.ALPHA.-LIPOIC ACID, (+/-)-|AC-22673|BP-31070|LS-63315|NCI60_042014|R)-(+)-|A-Lipoic acid OOEthyAoEthAEa|SY010902|(R)-(+)-(c) paragraph sign-Lipoic acid|1,2-Dithiolane-3-pentanoic acid, (+)-|SBI-0051871.P002|1,2-Dithiolane-3-valeric acid, (.+.)-|5-(1,2-Dithiolan-3-yl)pentanoic acid #|( inverted exclamation markA)-a-Lipoic acid|1,2-Dithiolane-3-pentanoic acid, (.+.)-|1,2-Dithiolane-3-valeric acid, (.+-.)-|FT-0622068|FT-0625429|FT-0670812|FT-0670813|L0058|1,2-Dithiolane-3-pentanoic acid, (.+-.)-|1,2-Dithiolane-3-valeric acid, (.+/-.)-|EN300-17612|1,2-Dithiolane-3-pentanoic acid, (.+/-.)-|C00725|D00086|AB00052393_09|(+/-)?-?1,2-?Dithiolane-?3-?Pentanoic Acid|A801751|Q312229|1,2-Dithiolane-3-pentanoic acid, (+-)- (9CI)|J-002007|J-520421|SR-01000737460-2|SR-01000737460-6|5-((3RS)-1,2-DITHIOLAN-3-YL)PENTANOIC ACID|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|Alpha Lipoic Acid, United States Pharmacopeia (USP) Reference Standard|(R)-(+)-1,2-Dithiolane-3-pentanoic acid; R-(+)-Thioctic acid; R-(+)-alpha-Lipoic acid|AfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade mark?-Lipoic Acid|Thioctic acid containing impurity B, European Pharmacopoeia (EP) Reference Standard|Thioctic acid for system suitability, European Pharmacopoeia (EP) Reference Standard|Thioctic Acid;1,2-Dithiolane-3-pentanoic acid;5-(1,2-Dithiolan-3-yl)valeric acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.810 |
| Log Po/w (XLOGP3) : 1.680 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 1.570 |
| Log Po/w (SILICOS-IT) : 2.340 |
| Consensus Log Po/w : 2.040 |

