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155239-88-6 | Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-, phosphate (1:1)
CAS No: 155239-88-6 Catalog No: AG001NQZ MDL No:
Product Description
Catalog Number:
AG001NQZ
Chemical Name:
Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-, phosphate (1:1)
CAS Number:
155239-88-6
Molecular Formula:
C5H15N2O7PS
Molecular Weight:
278.2206
IUPAC Name:
(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid;phosphoric acid
InChI:
InChI=1S/C5H12N2O3S.H3O4P/c1-11(7,10)3-2-4(6)5(8)9;1-5(2,3)4/h4,7H,2-3,6H2,1H3,(H,8,9);(H3,1,2,3,4)/t4-,11?;/m0./s1
InChI Key:
RRLRICYKEFDWBX-WQTHLVERSA-N
SMILES:
OP(=O)(O)O.OC(=O)[C@H](CCS(=O)(=N)C)N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
278.216g/mol
Monoisotopic Mass:
278.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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