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1265905-21-2 | 4-Thiazolecarboxylic acid, 2-[(1R,3S)-3-amino-1-hydroxy-4-methylpentyl]-, methyl ester
CAS No: 1265905-21-2 Catalog No: AG000SZ8 MDL No:
Product Description
Catalog Number:
AG000SZ8
Chemical Name:
4-Thiazolecarboxylic acid, 2-[(1R,3S)-3-amino-1-hydroxy-4-methylpentyl]-, methyl ester
CAS Number:
1265905-21-2
Molecular Formula:
C11H18N2O3S
Molecular Weight:
258.3372
IUPAC Name:
methyl 2-[(1R,3S)-3-amino-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H18N2O3S/c1-6(2)7(12)4-9(14)10-13-8(5-17-10)11(15)16-3/h5-7,9,14H,4,12H2,1-3H3/t7-,9+/m0/s1
InChI Key:
NKCIHAKAWLMTAH-IONNQARKSA-N
SMILES:
COC(=O)c1csc(n1)[C@@H](C[C@@H](C(C)C)N)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.336g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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