Cas no 1960-71-0 (2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid)
![2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid structure](https://ossimg.kuujia.com/scimg/2000/1960-71-0x500.png)
1960-71-0 structure
Product Name:2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CAS No:1960-71-0
MF:C14H26N6O11
MW:454.389843463898
CID:2099792
PubChem ID:25116575
Update Time:2024-10-31
2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Disodium creatien phosphate
- di-creatine citrate
- Dicreatine Citric Acid
- 2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
- dicreatine citrate
- 1960-71-0
- 331942-93-9
-
- Inchi： 1S/C6H8O7.2C4H9N3O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-7(4(5)6)2-3(8)9/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*2H2,1H3,(H3,5,6)(H,8,9)
- InChI Key： LXYYMRRIOBTNDZ-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CC(=O)O)CC(=O)O.OC(CN(C(=N)N)C)=O.OC(CN(C(=N)N)C)=O
Computed Properties
- Exact Mass: 454.16595567g/mol
- Monoisotopic Mass: 454.16595567g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 31
- Rotatable Bond Count: 11
- Complexity: 361
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 313
2-[Carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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