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2280-27-5 | (S)-2-Amino-3-hydroxy-3-methylbutanoic acid
CAS No: 2280-27-5 Catalog No: AG0039QI MDL No:MFCD00800535
Product Description
Catalog Number:
AG0039QI
Chemical Name:
(S)-2-Amino-3-hydroxy-3-methylbutanoic acid
CAS Number:
2280-27-5
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
MDL Number:
MFCD00800535
IUPAC Name:
(2S)-2-amino-3-hydroxy-3-methylbutanoic acid
InChI:
InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChI Key:
LDRFQSZFVGJGGP-GSVOUGTGSA-N
SMILES:
OC(=O)[C@H](C(O)(C)C)N
UNII:
811DM40QTW
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
Literature
| Title | Journal |
|---|---|
| Total synthesis of the large non-ribosomal peptide polytheonamide B. | Nature chemistry 20100401 |
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