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45125-00-6 | H-D-Glu(OtBu)-OH
CAS No: 45125-00-6 Catalog No: AG003PAC MDL No:MFCD00153437
Product Description
Catalog Number:
AG003PAC
Chemical Name:
H-D-Glu(OtBu)-OH
CAS Number:
45125-00-6
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD00153437
IUPAC Name:
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChI:
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m1/s1
InChI Key:
OIOAKXPMBIZAHL-ZCFIWIBFSA-N
SMILES:
N[C@@H](C(=O)O)CCC(=O)OC(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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