Cas no 530113-21-4 (L-Isovaline, 3-hydroxy-3-methyl- (9CI))
530113-21-4 structure
Product Name:L-Isovaline, 3-hydroxy-3-methyl- (9CI)
CAS No:530113-21-4
MF:C6H13NO3
MW:147.172322034836
CID:937827
PubChem ID:45086660
Update Time:2025-04-19
L-Isovaline, 3-hydroxy-3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Isovaline, 3-hydroxy-3-methyl- (9CI)
- (2R)-2-amino-3-hydroxy-2,3-dimethylbutanoic acid
- 3-Hydroxy-3-methyl-D-isovaline
- DTXSID50665926
- 530113-21-4
-
- Inchi： 1S/C6H13NO3/c1-5(2,10)6(3,7)4(8)9/h10H,7H2,1-3H3,(H,8,9)/t6-/m0/s1
- InChI Key： XRTPVBDGIHBVJI-LURJTMIESA-N
- SMILES： OC(C)(C)[C@@](C(=O)O)(C)N
Computed Properties
- Exact Mass: 147.08954328g/mol
- Monoisotopic Mass: 147.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 155
- 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: -3.2
- Topological Polar Surface Area: 83.6?2
L-Isovaline, 3-hydroxy-3-methyl- (9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
530113-21-4 (L-Isovaline, 3-hydroxy-3-methyl- (9CI)) Related Products
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