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

Name
(2S)-2,6-diaminohexanoic acid: 5-(dithiolan-3-yl)pentanoic acid
EINECS
CAS No. 20902-53-8
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₄H₂₈N₂O₄S₂
Boiling Point 362.5 °C at 760 mmHg
Molecular Weight 352.513120
Flash Point 173 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Lipoyl-L-lysine;
PSA 92.42000
LogP 8.90360

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

Product Name

(2S)-2,6-diaminohexanoic acid: 5-(dithiolan-3-yl)pentanoic acid

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

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