Cas no 81107-70-2 (D-Isovaline,3-hydroxy-3-methyl- (9CI))
81107-70-2 structure
Product Name:D-Isovaline,3-hydroxy-3-methyl- (9CI)
CAS No:81107-70-2
MF:C6H13NO3
MW:147.172322034836
CID:707975
PubChem ID:45086687
Update Time:2025-04-19
D-Isovaline,3-hydroxy-3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Isovaline,3-hydroxy-3-methyl- (9CI)
- AKOS006361910
- Trimethylserin
- D-Isovaline,3-hydroxy-3-methyl-(9ci)
- 81107-70-2
-
- Inchi： 1S/C6H13NO3/c1-5(2,10)6(3,7)4(8)9/h10H,7H2,1-3H3,(H,8,9)/t6-/m1/s1
- InChI Key： XRTPVBDGIHBVJI-ZCFIWIBFSA-N
- SMILES： OC(C)(C)[C@](C(=O)O)(C)N
Computed Properties
- Exact Mass: 147.09
- Monoisotopic Mass: 147.09
- 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
- Topological Polar Surface Area: 83.6A^2
- XLogP3: -3.2
D-Isovaline,3-hydroxy-3-methyl- (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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