Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3R)- supplier

Name
BOC-L-BETA-HOMOMETHIONINE
EINECS
CAS No. 244251-20-5
Article Data3
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁NO₄S
Boiling Point 422.3 °C at 760 mmHg
Molecular Weight 263.35
Flash Point 209.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-3-{[(tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid; (R)-3-((tert-butoxycarbonyl)amino)-5-(methylthio)pentanoic acid; Boc-b-HoMet-OH; (R)-3-((tert-Butoxycarbonyl)amino)-5-(methylthio)pentanoic acid; BOC-MET-(C*CH2)OH;
PSA 100.93000
LogP 2.49840

Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3R)- Specification

The Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3R)- is an organic compound with the formula C₁₁H₂₁NO₄S. The systematic name of this chemical is 3-[(tert-butoxycarbonyl)amino]-5-(methylsulfanyl)pentanoic acid. With the CAS registry number 244251-20-5, it is also named as Boc-L-β-Homomethionine. The product's categories are β-Homo Amino Acids; Beta amino acids.

Physical properties about Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3R)- are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/BCF (pH 5.5): 1.2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16.89; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 81.14 Å²; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 67.86 cm³; (13)Molar Volume: 231.4 cm³; (14)Polarizability: 26.9×10^-24cm³; (15)Surface Tension: 41.5 dyne/cm; (16)Density: 1.137 g/cm³; (17)Flash Point: 209.2 °C; (18)Enthalpy of Vaporization: 74.19 kJ/mol; (19)Boiling Point: 422.3 °C at 760 mmHg; (20)Vapour Pressure: 2.59E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(CCSC)CC(=O)O
(2)InChI: InChI=1/C11H21NO4S/c1-11(2,3)16-10(15)12-8(5-6-17-4)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
(3)InChIKey: HBFKPNZCUUZRLA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-8(5-6-17-4)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
(5)Std. InChIKey: HBFKPNZCUUZRLA-UHFFFAOYSA-N

Product Name

BOC-L-BETA-HOMOMETHIONINE

Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3R)- Specification

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