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D-AP5

CAT: 0127-BUP01897-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01897-05Size:25 mg
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CAS Number
79055-68-8
Synonyms
D-APV, D-2-Amino-5-phosphonovaleric acid
Purity
=98%
Smiles
C(C[C@H](C(O)=O)N)CP(=O)(O)O

Chemical Information

d-AP5
CAS Number79055-68-8
PubChem CID24794417
IUPAC Name[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
Molecular FormulaC5H11NO5P-
Molecular Weight196.12
XLogP-5.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge-1
Complexity198
SMILES
C(C[C@H](C(=O)O)N)CP(=O)(O)[O-]
InChI
InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1
InChIKey
VOROEQBFPPIACJ-SCSAIBSYSA-M
Chemical Structure
2D Structure
2D structure of d-AP5
CAS: 79055-68-8
CID: 24794417
Formula: C5H11NO5P-
MW: 196.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.12
XLogP3-5.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass196.03748445
Monoisotopic Mass196.03748445
Topological Polar Surface Area124 Ų
Heavy Atom Count12
Formal Charge-1
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes