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868074-65-1 | Pentanoic acid, 5-amino-4-oxo-, phosphate (1:1)
CAS No: 868074-65-1 Catalog No: AG004J31 MDL No:
Product Description
Catalog Number:
AG004J31
Chemical Name:
Pentanoic acid, 5-amino-4-oxo-, phosphate (1:1)
CAS Number:
868074-65-1
Molecular Formula:
C5H12NO7P
Molecular Weight:
229.1250
IUPAC Name:
5-amino-4-oxopentanoic acid;phosphoric acid
InChI:
InChI=1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4)
InChI Key:
XWNWBYZHOAIHTK-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.NCC(=O)CCC(=O)O
UNII:
FM8DCR39GH
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
229.125g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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