Cas no 61748-89-8 (Pentanoic acid, 3-methyl-2-oxo-, (R)-)
61748-89-8 structure
Product Name:Pentanoic acid, 3-methyl-2-oxo-, (R)-
CAS No:61748-89-8
MF:C6H10O3
MW:130.141802310944
CID:467579
PubChem ID:440877
Update Time:2025-04-19
Pentanoic acid, 3-methyl-2-oxo-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 3-methyl-2-oxo-, (R)-
- (R)-3-Methyl-2-oxopentanoic acid
- D-2-Keto-3-methylvalerate
- LMFA01020280
- (R)-3-methyl-2-oxovaleric acid
- 2N24YSA6YZ
- (R)-2-Oxo-3-methylpentanoic acid
- AKOS006375900
- SCHEMBL3860250
- 61748-89-8
- (R)-2-Oxo-3-methylpentanoate
- Pentanoic acid, 3-methyl-2-oxo-, (3R)-
- (3R)-2-oxoisoleucine
- C06008
- (3R)-3-Methyl-2-oxopentanoic acid
- 3-Methyl-2-oxo-pentanoic acid, (+)-
- CHEBI:28379
- (r)-2-oxo-3-methylvaleric acid
- (R)-OMV
- UNII-2N24YSA6YZ
- (+)-3-methyl-2-oxo-pentanoic acid
- 2oxo-3R-methyl-pentanoic acid
- Q27103666
- (3R)-2-oxo-3-methyl-n-valeric acid
-
- Inchi： 1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
- InChI Key： JVQYSWDUAOAHFM-SCSAIBSYSA-N
- SMILES： O=C(C(=O)O)[C@H](C)CC
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 128
- 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: 1.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Pentanoic acid, 3-methyl-2-oxo-, (R)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
61748-89-8 (Pentanoic acid, 3-methyl-2-oxo-, (R)-) Related Products
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