Cas no 72794-47-9 (copper(2+) dihydrogen bis(2-amino-3-methyl-3-sulfidobutanoate) dihydrate)
72794-47-9 structure
Product Name:copper(2+) dihydrogen bis(2-amino-3-methyl-3-sulfidobutanoate) dihydrate
CAS No:72794-47-9
MF:C10H24CuN2O6S2
MW:395.983362197876
CID:1757562
PubChem ID:138401843
Update Time:2025-04-21
copper(2+) dihydrogen bis(2-amino-3-methyl-3-sulfidobutanoate) dihydrate Chemical and Physical Properties
Names and Identifiers
-
- copper(2+) dihydrogen bis(2-amino-3-methyl-3-sulfidobutanoate) dihydrate
- copper,2-amino-3-methyl-3-sulfidobutanoate,hydron,dihydrate
- DTXSID30993597
- Copper(2+) 2-amino-3-methyl-3-sulfidobutanoate--3-sulfanylvaline--water (1/1/1/2)
- 72794-47-9
-
- Inchi： 1S/2C5H11NO2S.Cu.2H2O/c2*1-5(2,9)3(6)4(7)8;;;/h2*3,9H,6H2,1-2H3,(H,7,8);;2*1H2/q;;+2;;/p-2
- InChI Key： FCUUYVUWWWQXPX-UHFFFAOYSA-L
- SMILES： [Cu+2].SC(C)(C)C(C(=O)O)N.[S-]C(C)(C)C(C(=O)[O-])N.O.O
Computed Properties
- Exact Mass: 395.03732
- Monoisotopic Mass: 395.037176g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 243
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 134?2
Experimental Properties
- PSA: 189.64
copper(2+) dihydrogen bis(2-amino-3-methyl-3-sulfidobutanoate) dihydrate 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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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