Cas no 16649-79-9 (L-Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1))
16649-79-9 structure
Product Name:L-Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1)
CAS No:16649-79-9
MF:C5H6CaN2O5
MW:214.1895403862
CID:161787
PubChem ID:20055292
Update Time:2025-04-19
L-Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1)
- calcium N-(aminocarbonyl)-L-aspartate
- aspartic acid, N-(aminocarbonyl)-, calcium salt (1:1)
- Calcium N-carbamoylaspartate
- (+)-N-Carbamoyl-L-aspartic acid calcium salt
- 16649-79-9
- NS00084254
- EINECS 240-698-6
- CALCIUM N-CARBAMOYLASPARTATE [MI]
- Q27254239
- DTXSID20937203
- calcium;(2S)-2-(carbamoylamino)butanedioate
- N-carbamoylaspartic acid calcium salt
- L-Aspartic acid, N-(aminocarbonyl)-, calcium salt (1:1)
- SCHEMBL1435508
- NS00086036
- CALCIUM N-CARBAMOYLASPARTATE, L-
- UNII-27WBK1452C
- 27WBK1452C
-
- Inchi： 1S/C5H8N2O5.Ca/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+2/p-2/t2-;/m0./s1
- InChI Key： KGWAITXYALRFDQ-DKWTVANSSA-L
- SMILES： [Ca+2].[O-]C([C@H](CC(=O)[O-])NC(N)=O)=O
Computed Properties
- Exact Mass: 213.9902621g/mol
- Monoisotopic Mass: 213.9902621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 135?2
Experimental Properties
- Specific Rotation: D20 +32.2° (c = 2.53)
L-Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1) Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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