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73397-27-0 | (2S,3S);-3-((tert-Butoxycarbonyl);amino);-2-hydroxy-5-methylhexanoic acid
CAS No: 73397-27-0 Catalog No: AG005EEB MDL No:MFCD04974450
Product Description
Catalog Number:
AG005EEB
Chemical Name:
(2S,3S);-3-((tert-Butoxycarbonyl);amino);-2-hydroxy-5-methylhexanoic acid
CAS Number:
73397-27-0
Molecular Formula:
C12H23NO5
Molecular Weight:
261.3147
MDL Number:
MFCD04974450
IUPAC Name:
(2S,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C12H23NO5/c1-7(2)6-8(9(14)10(15)16)13-11(17)18-12(3,4)5/h7-9,14H,6H2,1-5H3,(H,13,17)(H,15,16)/t8-,9-/m0/s1
InChI Key:
DJZCWTDKDFJARG-IUCAKERBSA-N
SMILES:
CC(C[C@@H]([C@@H](C(=O)O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
261.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.318g/mol
Monoisotopic Mass:
261.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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