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799842-91-4 | Cyclopentanecarboxylic acid, 1-amino-3-borono-
CAS No: 799842-91-4 Catalog No: AG005ETV MDL No:
Product Description
Catalog Number:
AG005ETV
Chemical Name:
Cyclopentanecarboxylic acid, 1-amino-3-borono-
CAS Number:
799842-91-4
Molecular Formula:
C6H12BNO4
Molecular Weight:
172.9748
IUPAC Name:
1-amino-3-boronocyclopentane-1-carboxylic acid
InChI:
InChI=1S/C6H12BNO4/c8-6(5(9)10)2-1-4(3-6)7(11)12/h4,11-12H,1-3,8H2,(H,9,10)
InChI Key:
VOHZFKLCWSOFRW-UHFFFAOYSA-N
SMILES:
OB(C1CCC(C1)(N)C(=O)O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.086g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
172.975g/mol
Monoisotopic Mass:
173.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Biological evaluation of boronated unnatural amino acids as new boron carriers. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20090701 |
| The syntheses and in vivo biodistribution of novel boronated unnatural amino acids. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20041101 |
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