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1217648-00-4 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methoxy-, (αR,βR)-rel-
CAS No: 1217648-00-4 Catalog No: AG0015UV MDL No:MFCD07363647
Product Description
Catalog Number:
AG0015UV
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methoxy-, (αR,βR)-rel-
CAS Number:
1217648-00-4
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
MDL Number:
MFCD07363647
IUPAC Name:
(2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO6/c1-15(2,3)22-14(20)16-11(12(17)13(18)19)9-5-7-10(21-4)8-6-9/h5-8,11-12,17H,1-4H3,(H,16,20)(H,18,19)/t11-,12-/m1/s1
InChI Key:
MTWXPRLVCZWIQM-VXGBXAGGSA-N
SMILES:
COc1ccc(cc1)[C@H]([C@H](C(=O)O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.334g/mol
Monoisotopic Mass:
311.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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