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N-Benzyloxycarbonyl-L-alanine N-hydroxysuccinimide ester

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Name

N-Benzyloxycarbonyl-L-alanine N-hydroxysuccinimide ester

EINECS 1533716-785-6
CAS No. 3401-36-3 Density 1.36 g/cm3
PSA 102.01000 LogP 1.23730
Solubility N/A Melting Point 119-123 °C
Formula C15H16N2O6 Boiling Point N/A
Molecular Weight 320.302 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3401-36-3 (Z-ALA-OSU) Hazard Symbols N/A
Synonyms

Alanine, N-carboxy-, N-benzyl ester, succinimido deriv., L- (8CI);Benzyloxycarbonyl-L-alanineester with N-hydroxysuccinimide;Carbobenzoxyalanine, ester withN-hydroxysuccinimide;N-Benzyloxycarbonyl-L-alanine N-hydroxysuccinimide ester;Succinimide, N-[(N-carboxy-L-alanyl)oxy]-, benzyl ester (7CI,8CI);Carbamic acid,[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, phenylmethyl ester,(S)-;Carbamicacid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, phenylmethylester (9CI);

Article Data 26

N-Benzyloxycarbonyl-L-alanine N-hydroxysuccinimide ester Specification

This chemical is called L-Alanine,N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester, and its systematic name is 2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-alaninate. With the molecular formula of C15H16N2O6, its molecular weight is 320.30. The CAS registry number of this chemical is 3401-36-3. Additionally, its product category is Amino Acid Derivatives.

Other characteristics of the L-Alanine,N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester can be summarised as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.34; (8)ACD/KOC (pH 7.4): 30.33; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 93.22 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 77.84 cm3; (15)Molar Volume: 233.9 cm3; (16)Polarizability: 30.85×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.36 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2N(OC(=O)[C@@H](NC(=O)OCc1ccccc1)C)C(=O)CC2
2.InChI: InChI=1/C15H16N2O6/c1-10(14(20)23-17-12(18)7-8-13(17)19)16-15(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)/t10-/m0/s1
3.InChIKey: OFIYNISEFIEQBC-JTQLQIEIBP

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