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128595-42-6 | D-Alanine, anhydride with phosphoric acid (1:1)
CAS No: 128595-42-6 Catalog No: AG000Y8I MDL No:
Product Description
Catalog Number:
AG000Y8I
Chemical Name:
D-Alanine, anhydride with phosphoric acid (1:1)
CAS Number:
128595-42-6
Molecular Formula:
C3H8NO5P
Molecular Weight:
169.0731
IUPAC Name:
phosphono (2R)-2-aminopropanoate
InChI:
InChI=1S/C3H8NO5P/c1-2(4)3(5)9-10(6,7)8/h2H,4H2,1H3,(H2,6,7,8)/t2-/m1/s1
InChI Key:
HNBPGMZUKDCQEE-UWTATZPHSA-N
SMILES:
C[C@H](C(=O)OP(=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:
3
Isotope Atom Count:
0
Molecular Weight:
169.073g/mol
Monoisotopic Mass:
169.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
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