Cas no 70004-76-1 (L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI))
![L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/70500/70004-76-1x500.png)
70004-76-1 structure
Product Name:L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI)
CAS No:70004-76-1
MF:C7H12N2O6
MW:220.179982185364
CID:571565
PubChem ID:155348
Update Time:2025-04-19
L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI)
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- Inchi： 1S/C7H12N2O6/c8-3(6(12)13)2-9-4(7(14)15)1-5(10)11/h3-4,9H,1-2,8H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+/m1/s1
- InChI Key： HKUWZGIXOSUJLV-DMTCNVIQSA-N
- SMILES： OC([C@H](CC(=O)O)NC[C@H](C(=O)O)N)=O
Computed Properties
- Exact Mass: 220.06956
- Monoisotopic Mass: 220.06953611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -6.9
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 149.95
L-Aspartic acid,N-[(2R)-2-amino-2-carboxyethyl]- (9CI) Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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