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1217624-75-3 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3,4-dimethoxy-, (αR,βR)-rel-
CAS No: 1217624-75-3 Catalog No: AG0015U7 MDL No:MFCD07363689
Product Description
Catalog Number:
AG0015U7
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3,4-dimethoxy-, (αR,βR)-rel-
CAS Number:
1217624-75-3
Molecular Formula:
C16H23NO7
Molecular Weight:
341.3563
MDL Number:
MFCD07363689
IUPAC Name:
(2R,3R)-3-(3,4-dimethoxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO7/c1-16(2,3)24-15(21)17-12(13(18)14(19)20)9-6-7-10(22-4)11(8-9)23-5/h6-8,12-13,18H,1-5H3,(H,17,21)(H,19,20)/t12-,13-/m1/s1
InChI Key:
SSHWDGQNMYHLBV-CHWSQXEVSA-N
SMILES:
COc1ccc(cc1OC)[C@H]([C@H](C(=O)O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
341.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.36g/mol
Monoisotopic Mass:
341.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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