CAS No.50715-50-9,BOC-ASP(OTBU)-OSU Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50715-50-9
Name:	BOC-ASP(OTBU)-OSU
Article Data:	5

Formula:	C₁₇H₂₆N₂O₈
Molecular Weight:	386.402
Synonyms:	Butanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-,1,1-dimethylethyl ester, (3S)- (9CI);Butanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-,1,1-dimethylethyl ester, (S)-;(2,5-dioxopyrrolidin-1-yl) tert-butyl (2S)-2-(tert-butoxycarbonylamino)butanedioate;Boc-Asp(OtBu)-O-(NHS);Boc-Asp(OtBu)-OSu;Boc-L-aspartic acid 4-(tert-butyl) 1-(hydroxysuccinimide) ester;Boc-L-aspartic acid 4-(tert-butyl) 1-(hydroxysuccinimide) ester;
Density:	1.25g/cm3
Melting Point:	98-102 °C
PSA:	128.31000
LogP:	1.54750

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Specification

The Boc-L-Aspartic acid β-t-butyl α-N-hydroxysuccinimide ester, with the CAS registry number 50715-50-9, has the systematic name of (2,5-dioxopyrrolidin-1-yl) tert-butyl (2S)-2-(tert-butoxycarbonylamino)butanedioate. It belongs to the product category of Amino Acids, and should be stored at -20°C. The molecular formula of the chemical is C₁₇H₂₆N₂O₈.

The characteristics of Boc-L-Aspartic acid β-t-butyl α-N-hydroxysuccinimide ester are as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39 ; (5)#H bond acceptors: 10; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 128.31 Å²; (9)Index of Refraction: 1.508; (10)Molar Refractivity: 92.04 cm³; (11)Molar Volume: 308.2 cm³; (12)Polarizability: 36.49×10^-24cm³; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.25 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCC(=O)N1OC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C17H26N2O8/c1-16(2,3)25-13(22)9-10(18-15(24)26-17(4,5)6)14(23)27-19-11(20)7-8-12(19)21/h10H,7-9H2,1-6H3,(H,18,24)/t10-/m0/s1
(3)InChIKey: PIITZDSTZQZNQH-JTQLQIEIBK