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1217711-37-9 | 2-Naphthalenepropanoic acid, β-amino-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217711-37-9 Catalog No: AG0015X3 MDL No:MFCD07363736
Product Description
Catalog Number:
AG0015X3
Chemical Name:
2-Naphthalenepropanoic acid, β-amino-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217711-37-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD07363736
IUPAC Name:
(2R,3R)-3-amino-2-hydroxy-3-naphthalen-2-ylpropanoic acid
InChI:
InChI=1S/C13H13NO3/c14-11(12(15)13(16)17)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12,15H,14H2,(H,16,17)/t11-,12-/m1/s1
InChI Key:
XWVSXSUSCGCSFK-VXGBXAGGSA-N
SMILES:
OC(=O)[C@@H]([C@@H](c1ccc2c(c1)cccc2)N)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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