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142235-88-9 | L-Phenylalanine, 3-(phosphonomethyl)-
CAS No: 142235-88-9 Catalog No: AG001I0S MDL No:
Product Description
Catalog Number:
AG001I0S
Chemical Name:
L-Phenylalanine, 3-(phosphonomethyl)-
CAS Number:
142235-88-9
Molecular Formula:
C10H14NO5P
Molecular Weight:
259.1956
IUPAC Name:
(2S)-2-amino-3-[3-(phosphonomethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-2-1-3-8(4-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
InChI Key:
CPNXSABCIFWCDQ-VIFPVBQESA-N
SMILES:
OC(=O)[C@H](Cc1cccc(c1)CP(=O)(O)O)N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.198g/mol
Monoisotopic Mass:
259.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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