CAS No.56926-94-4,BOC-SER(TOS)-OCH3 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56926-94-4
Name:	BOC-SER(TOS)-OCH3
Article Data:	24

Formula:	C₁₆H₂₃NO₇S
Molecular Weight:	373.427
Synonyms:	L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, 4-methylbenzenesulfonate(ester) (9CI);Methyl(2S)-2-[N-(tert-butoxycarbonyl)amino]-3-[[(4-methylphenyl)sulfonyl]oxy]propionate;N-Boc-O-tosylserine methyl ester;
Density:	1.236 g/cm³
Melting Point:	74-75℃
Boiling Point:	520 °C at 760 mmHg
Flash Point:	268.3 °C
PSA:	116.38000
LogP:	3.23830

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Specification

The Boc-Ser(Tos)-OMe, with the CAS registry number 56926-94-4, has the systematic name of methyl N-(tert-butoxycarbonyl)-O-[(4-methylphenyl)sulfonyl]-L-serinate. It belongs to the following product categories: Amino Acid Derivatives; Boc-Amino Acids and Derivative; Boc-Amino acid series. And the molecular formula of the chemical is C₁₆H₂₃NO₇S.

The characteristics of Boc-Ser(Tos)-OMe are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 179.57; (6)ACD/BCF (pH 7.4): 179.33; (7)ACD/KOC (pH 5.5): 1429.48; (8)ACD/KOC (pH 7.4): 1427.63; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.59 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 90.95 cm³; (15)Molar Volume: 302.1 cm³; (16)Polarizability: 36.05×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 268.3 °C; (20)Enthalpy of Vaporization: 79.29 kJ/mol; (21)Boiling Point: 520 °C at 760 mmHg; (22)Vapour Pressure: 6.48E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC)COS(=O)(=O)c1ccc(cc1)C
(2)InChI: InChI=1/C16H23NO7S/c1-11-6-8-12(9-7-11)25(20,21)23-10-13(14(18)22-5)17-15(19)24-16(2,3)4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m0/s1
(3)InChIKey: VVBLIPVUGGNLGW-ZDUSSCGKBM