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1217602-85-1 | 2-Naphthalenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217602-85-1 Catalog No: AG0015TO MDL No:MFCD07363737
Product Description
Catalog Number:
AG0015TO
Chemical Name:
2-Naphthalenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217602-85-1
Molecular Formula:
C18H21NO5
Molecular Weight:
331.3630
MDL Number:
MFCD07363737
IUPAC Name:
(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
InChI:
InChI=1S/C18H21NO5/c1-18(2,3)24-17(23)19-14(15(20)16(21)22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15,20H,1-3H3,(H,19,23)(H,21,22)/t14-,15-/m1/s1
InChI Key:
DQUFRNIKBQMWFX-HUUCEWRRSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]([C@H](C(=O)O)O)c1ccc2c(c1)cccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
331.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.368g/mol
Monoisotopic Mass:
331.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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