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13748-90-8 | Pentanoic acid, 2-hydroxy-4-methyl-, (2S)-
CAS No: 13748-90-8 Catalog No: AG0013C7 MDL No:MFCD00064214
Product Description
Catalog Number:
AG0013C7
Chemical Name:
Pentanoic acid, 2-hydroxy-4-methyl-, (2S)-
CAS Number:
13748-90-8
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD00064214
IUPAC Name:
(2S)-2-hydroxy-4-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChI Key:
LVRFTAZAXQPQHI-YFKPBYRVSA-N
SMILES:
O[C@H](C(=O)O)CC(C)C
EC Number:
237-329-6
UNII:
6B33FPI2OZ
NSC Number:
152493
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Structural analysis of a new cytotoxic demethylated analogue of neo-N-methylsansalvamide with a different peptide sequence produced by Fusarium solani isolated from potato. | Journal of agricultural and food chemistry 20120502 |
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