Cas no 78333-13-8 (L-Aspartic-2,3,3-t3acid (9CI))
L-Aspartic-2,3,3-t3acid (9CI) structure
Product Name:L-Aspartic-2,3,3-t3acid (9CI)
CAS No:78333-13-8
MF:C4H7NO4
MW:139.127009391785
CID:562844
PubChem ID:91872969
Update Time:2025-04-19
L-Aspartic-2,3,3-t3acid (9CI) Chemical and Physical Properties
Names and Identifiers
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- L-Aspartic-2,3,3-t3acid (9CI)
- L-ASPARTIC ACID, [2,3-3H]
- ASPARTIC ACID, L-[2,3-3H]
- L-[2,3-3H]ASPARTIC ACID
- (2S)-2-amino-2,3,3-tritritiobutanedioic acid
- L-Aspartic acid,[2,3-3H]
- 78333-13-8
- L-Aspartic-2,3,3-t3acid(9ci)
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- Inchi： 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1T2,2T
- InChI Key： CKLJMWTZIZZHCS-BZRGAPGCSA-N
- SMILES： OC([C@]([3H])(C([3H])([3H])C(=O)O)N)=O
Computed Properties
- Exact Mass: 139.06218045g/mol
- Monoisotopic Mass: 139.06218045g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.8
- Topological Polar Surface Area: 101?2
L-Aspartic-2,3,3-t3acid (9CI) Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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