CAS No.35193-18-1,H-LYS-TYR-LYS-OH ACETATE SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35193-18-1
Name:	H-LYS-TYR-LYS-OH ACETATE SALT

Formula:	C₂₁H₃₅N₅O₅
Molecular Weight:	437.53
Synonyms:	L-Lysine,N2-(N-L-lysyl-L-tyrosyl)-;44: PN: WO0042071 TABLE: 11 claimed protein;4: PN:WO0035480 PAGE: 8 unclaimed protein;H-L-Lys-L-Tyr-L-Lys-OH;L-Lysyl-L-tyrosine-a-L-lysine;L-Lysyl-L-tyrosyl-L-lysine;Lys-Tyr-Lys;H-Lys-Tyr-Lys acetate salt;
Density:	1.236 g/cm³
Boiling Point:	821.3 °C at 760 mmHg
Flash Point:	450.5 °C
PSA:	231.09000
LogP:	2.54780

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Specification

The L-Lysine,L-lysyl-L-tyrosyl-, with the CAS registry number 35193-18-1, has the systematic name of lysyltyrosyllysine. It is also called lysine, lysyltyrosyl-. It is a kind of organics, and should be stored at -20°C. And the molecular formula of the chemical is C₂₁H₃₅N₅O₅.

The characteristics of L-Lysine,L-lysyl-L-tyrosyl- are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.08; (4)ACD/LogD (pH 7.4): -4.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 85.87 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 117.2 cm³; (15)Molar Volume: 353.9 cm³; (16)Polarizability: 46.46×10^-24cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 450.5 °C; (20)Enthalpy of Vaporization: 125.13 kJ/mol; (21)Boiling Point: 821.3 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-28 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N)CCCCN)Cc1ccc(O)cc1)CCCCN
(2)InChI: InChI=1/C21H35N5O5/c22-11-3-1-5-16(24)19(28)26-18(13-14-7-9-15(27)10-8-14)20(29)25-17(21(30)31)6-2-4-12-23/h7-10,16-18,27H,1-6,11-13,22-24H2,(H,25,29)(H,26,28)(H,30,31)
(3)InChIKey: WINFHLHJTRGLCV-UHFFFAOYAF