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119740-31-7 | L-Alanine, N-phosphono-L-isoleucyl-
CAS No: 119740-31-7 Catalog No: AG000PL2 MDL No:
Product Description
Catalog Number:
AG000PL2
Chemical Name:
L-Alanine, N-phosphono-L-isoleucyl-
CAS Number:
119740-31-7
Molecular Formula:
C9H19N2O6P
Molecular Weight:
282.2307
IUPAC Name:
2-[[3-methyl-2-(phosphonoamino)pentanoyl]amino]propanoic acid
InChI:
InChI=1S/C9H19N2O6P/c1-4-5(2)7(11-18(15,16)17)8(12)10-6(3)9(13)14/h5-7H,4H2,1-3H3,(H,10,12)(H,13,14)(H3,11,15,16,17)
InChI Key:
BIOSNRSPRYKFCL-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)C)NP(=O)(O)O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
282.233g/mol
Monoisotopic Mass:
282.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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