Boc-S-4-methoxybenzyl-L-penicillamine supplier

Name
BOC-PEN(MOB)-OH
EINECS
CAS No. 120944-75-4
Article Data2
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point 108-115 °C
Formula C₁₈H₂₇NO₅S
Boiling Point 523.2 °C at 760 mmHg
Molecular Weight 369.482
Flash Point 270.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-2-((tert-Butoxycarbonyl)amino)-3-((4-methoxybenzyl)thio)-3-methylbutanoic acid;N-(tert-Butoxycarbonyl)-3-[(4-methoxybenzyl)sulfanyl]-L-valine;
PSA 110.16000
LogP 4.07580

Boc-S-4-methoxybenzyl-L-penicillamine Specification

The CAS registry number of L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methoxyphenyl)methyl]thio]- is 120944-75-4. The systematic name is N-(tert-butoxycarbonyl)-3-[(4-methoxybenzyl)sulfanyl]-L-valine. In addition, the molecular formula is C₁₈H₂₇NO₅S and the molecular weight is 369.48. What's more, it should be stored in a cool and dry place.

Physical properties about L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methoxyphenyl)methyl]thio]- are: (1)ACD/LogP: 4.55; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 7.76; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.72; (7)ACD/KOC (pH 7.4): 1.66; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 90.37 Å²; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 98.99 cm³; (14)Molar Volume: 316.1 cm³; (15)Polarizability: 39.24 ×10^-24cm³; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.168 g/cm³; (18)Flash Point: 270.2 °C; (19)Enthalpy of Vaporization: 83.88 kJ/mol; (20)Boiling Point: 523.2 °C at 760 mmHg; (21)Vapour Pressure: 8.95E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)C(SCc1ccc(OC)cc1)(C)C
(2)InChI: InChI=1/C18H27NO5S/c1-17(2,3)24-16(22)19-14(15(20)21)18(4,5)25-11-12-7-9-13(23-6)10-8-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1
(3)InChIKey: NEUHEEDQLRFEIM-CQSZACIVBS

Product Name

BOC-PEN(MOB)-OH

Boc-S-4-methoxybenzyl-L-penicillamine Specification

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