Cas no 78061-03-7 (H-THR-OTBU ACOH)
H-THR-OTBU ACOH structure
Product Name:H-THR-OTBU ACOH
CAS No:78061-03-7
MF:C10H21NO5
MW:235.277443647385
CID:551444
PubChem ID:88729885
Update Time:2025-04-19
H-THR-OTBU ACOH Chemical and Physical Properties
Names and Identifiers
-
- H-THR-OTBU ACOH
- L-THREONINE T-BUTYL ESTER ACETATE
- SCHEMBL11134328
- (2S,3R)-tert-butyl 2-amino-3-hydroxybutanoate acetate
- H-Thr-OtBu.ACOH
- 78061-03-7
-
- Inchi： 1S/C8H17NO3.C2H4O2/c1-5(10)6(9)7(11)12-8(2,3)4;1-2(3)4/h5-6,10H,9H2,1-4H3;1H3,(H,3,4)/t5-,6+;/m1./s1
- InChI Key： ZGPKATWUZGSUFK-IBTYICNHSA-N
- SMILES： O(C([C@H]([C@@H](C)O)N)=O)C(C)(C)C.OC(C)=O
Computed Properties
- Exact Mass: 235.14200
- Monoisotopic Mass: 235.14197277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 193
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 109.85000
- LogP: 0.82740
H-THR-OTBU ACOH Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
78061-03-7 (H-THR-OTBU ACOH) Related Products
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