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1217718-26-7 | Benzenepropanoic acid, β-amino-α-hydroxy-3,4-dimethoxy-, (αR,βR)-rel-
CAS No: 1217718-26-7 Catalog No: AG0015WX MDL No:MFCD07363688
Product Description
Catalog Number:
AG0015WX
Chemical Name:
Benzenepropanoic acid, β-amino-α-hydroxy-3,4-dimethoxy-, (αR,βR)-rel-
CAS Number:
1217718-26-7
Molecular Formula:
C11H15NO5
Molecular Weight:
241.2405
MDL Number:
MFCD07363688
IUPAC Name:
(2R,3R)-3-amino-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C11H15NO5/c1-16-7-4-3-6(5-8(7)17-2)9(12)10(13)11(14)15/h3-5,9-10,13H,12H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
InChI Key:
FXOLAAHVRBTUCR-NXEZZACHSA-N
SMILES:
COc1cc(ccc1OC)[C@H]([C@H](C(=O)O)O)N
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
241.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.243g/mol
Monoisotopic Mass:
241.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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