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20902-53-8

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Basic Information
CAS No.: 20902-53-8
Name: (2S)-2,6-diaminohexanoic acid: 5-(dithiolan-3-yl)pentanoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 20902-53-8 ((2S)-2,6-diaminohexanoic acid: 5-(dithiolan-3-yl)pentanoic acid)
Formula: C14H28N2O4S2
Molecular Weight: 352.513120
Synonyms: DL-Lipoyl-L-lysine;
Boiling Point: 362.5 °C at 760 mmHg
Flash Point: 173 °C
PSA: 92.42000
LogP: 8.90360
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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  •  Shandong Mopai Biotechnology Co., LTD

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    Tel:+86-15965530500

    Address:shandong

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  • L-Lysine, mono-1,2-dithiolane-3-pentanoate

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    20902-53-8

    L-Lysine, mono-1,2-dithiolane-3-pentanoate

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • L-Lysine, mono-1,2-dithiolane-3-pentanoate

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    20902-53-8

    L-Lysine, mono-1,2-dithiolane-3-pentanoate

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    α-Lypoic acid?lysine salt?(LipoEasy)

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    Address:1-4-29 Kunijima Higashi-Yodogawa-ku Osaka, Japan

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Specification

The L-Lysine, mono-1,2-dithiolane-3-pentanoate, with the CAS registry number of 20902-53-8, is also known as DL-Lipoyl-L-lysine. Its molecular formula is C14H28N2O4S2 and molecular weight is 352.513120. What's more, its IUPAC name is (2S)-2,6-Diaminohexanoic acid; 5-(dithiolan-3-yl)pentanoic acid. It is the substrate of lipoamidase.

Physical properties about the L-Lysine, mono-1,2-dithiolane-3-pentanoate are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 3.87; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 76.9 Å2; (13)Flash Point: 173 °C; (14)Enthalpy of Vaporization: 66.83 kJ/mol; (15)Boiling Point: 362.5 °C at 760 mmHg; (16)Vapour Pressure: 3.07E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CCCCN.O=C(O)CCCCC1SSCC1
(2) InChI: InChI=1/C8H14O2S2.C6H14N2O2/c9-8(10)4-2-1-3-7-5-6-11-12-7;7-4-2-1-3-5(8)6(9)10/h7H,1-6H2,(H,9,10);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
(3) InChIKey: WCHWQPTUXDMALZ-ZSCHJXSPBQ