Cas no 358731-27-8 (Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI))
358731-27-8 structure
Product Name:Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI)
CAS No:358731-27-8
MF:C6H12O3
MW:142.219299316406
CID:304562
PubChem ID:102600921
Update Time:2025-04-19
Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI)
- 2-ETHYL-D5-2-HYDROXYBUTYRIC-3,3,4,4,4-D5 ACID
- 3,3,4,4,4-pentadeuterio-2-hydroxy-2-(1,1,2,2,2-pentadeuterioethyl)butanoic acid
- 358731-27-8
-
- Inchi： 1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)/i1D3,2D3,3D2,4D2
- InChI Key： LXVSANCQXSSLPA-MWUKXHIBSA-N
- SMILES： OC(C(=O)O)(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 142.14100
- Monoisotopic Mass: 142.141411700g/mol
- Isotope Atom Count: 10
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 105
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 0.62210
Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI) Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
358731-27-8 (Butanoic-3,3,4,4,4-d5acid, 2-(ethyl-d5)-2-hydroxy- (9CI)) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
