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114496-35-4 | Alanine, N-acetyl-3-(hydroxymethylphosphinyl)-
CAS No: 114496-35-4 Catalog No: AG000EKA MDL No:
Product Description
Catalog Number:
AG000EKA
Chemical Name:
Alanine, N-acetyl-3-(hydroxymethylphosphinyl)-
CAS Number:
114496-35-4
Molecular Formula:
C6H12NO5P
Molecular Weight:
209.1369
IUPAC Name:
(2-acetamido-2-carboxyethyl)-(hydroxymethyl)-oxophosphanium
InChI:
InChI=1S/C6H10NO5P/c1-4(9)7-5(6(10)11)2-13(12)3-8/h5,8H,2-3H2,1H3,(H-,7,9,10,11)/p+1
InChI Key:
GFYYDDSYVBFUGB-UHFFFAOYSA-O
SMILES:
OCP(=O)C[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.13g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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