Cas no 95310-87-5 (Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)-)
95310-87-5 structure
Product Name:Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)-
CAS No:95310-87-5
MF:C7H12O5
MW:176.167182922363
CID:799344
PubChem ID:7018009
Update Time:2025-04-19
Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)-
- (S)-3-HYDROXYGLUTARATE ETHYL
- 5-ethoxy-3-hydroxy-5-oxopentanoic acid
- SCHEMBL10713162
- AKOS006295441
- (3S)-5-ETHOXY-3-HYDROXY-5-OXOPENTANOIC ACID
- 95310-88-6
- 95310-87-5
- (S)-5-ethoxy-3-hydroxy-5-oxopentanoic acid
-
- Inchi： 1S/C7H12O5/c1-2-12-7(11)4-5(8)3-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
- InChI Key： OEJAZOGPPRWZKM-YFKPBYRVSA-N
- SMILES： O[C@@H](CC(=O)O)CC(=O)OCC
Computed Properties
- Exact Mass: 176.06847348g/mol
- Monoisotopic Mass: 176.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 83.8?2
Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
95310-87-5 (Pentanedioic acid,3-hydroxy-, 1-ethyl ester, (3S)-) Related Products
- 32328-03-3(Diethyl 3-hydroxyglutarate)
- 7250-55-7(1,5-dimethyl 3-hydroxypentanedioate)
- 29435-48-1(Butanoic acid,3-hydroxy-, (3R)-, homopolymer)
- 112083-63-3(ethyl 2-(2S)-oxiran-2-ylacetate)
- 2305-25-1(Ethyl 3-hydroxyhexanoate)
- 56816-01-4(Ethyl (S)-3-hydroxybutyrate)
- 42558-50-9(methyl (3S)-3-hydroxypentanoate)
- 5405-41-4(Ethyl 3-hydroxybutyrate)
- 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)
Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent