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128241-72-5 | D-Alanine, 3-phosphono-
CAS No: 128241-72-5 Catalog No: AG000XVJ MDL No:MFCD00153907
Product Description
Catalog Number:
AG000XVJ
Chemical Name:
D-Alanine, 3-phosphono-
CAS Number:
128241-72-5
Molecular Formula:
C3H8NO5P
Molecular Weight:
169.0731
MDL Number:
MFCD00153907
IUPAC Name:
(2S)-2-amino-3-phosphonopropanoic acid
InChI:
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChI Key:
LBTABPSJONFLPO-UWTATZPHSA-N
SMILES:
OC(=O)[C@@H](CP(=O)(O)O)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
169.073g/mol
Monoisotopic Mass:
169.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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