Home >> Chemicals Listing >> hot product list by L  

L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]- (62062-43-5)

Identification
Name:L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-
Synonyms:L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-,[3aS-(3aa,4b,6aa)]-; 1H-Thieno[3,4-d]imidazole, L-lysine deriv.
CAS:62062-43-5
Molecular Formula: C21H36 N4 O6 S
Molecular Weight: 472.6
InChI: InChI=1/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1
Molecular Structure: (C21H36N4O6S) L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-o...
Properties
Melting Point: 132ºC
Density:1.202 g/cm3
Refractive index:1.526
Appearance:White Solid
Specification:

The CAS register number of N-Boc-N'-Biotinyl-L-lysine is 62062-43-5. It also can be called as N-alpha-Boc-biocytin and the systematic name about this chemical is N2-(tert-butoxycarbonyl)-N6-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine. The molecular formula about this chemical is C21H36N4O6S and the molecular weight is 472.60. It belongs to the Biotin Derivatives. This chemical can be used as an intermediate in the synthesis of biocytin-containing peptides.

Physical properties about N-Boc-N'-Biotinyl-L-lysine are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.84; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 14; (10)Polar Surface Area: 125Å2; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 120.76 cm3; (13)Molar Volume: 392.9 cm3; (14)Polarizability: 47.87x10-24cm3; (15)Surface Tension: 46.1 dyne/cm; (16)Enthalpy of Vaporization: 126.37 kJ/mol; (17)Boiling Point: 799.5 °C at 760 mmHg; (18)Vapour Pressure: 4.53E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1
(3)InChIKey: XTQNFOCBPUXJCS-JKQORVJEBA
(4)Std. InChI: InChI=1S/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1
(5)Std. InChIKey: XTQNFOCBPUXJCS-JKQORVJESA-N

Storage Temperature: -15°C
Usage:An intermediate in the synthesis of biocytin-containing peptides
Safety Data
 

Other Product