Home Other Building Blocks N2-Boc-guanine-9-acetic acid

N2-Boc-guanine-9-acetic acid

CAS No.:
1028077-12-4
Catalog Number:
AG0094EX
Molecular Formula:
C12H15N5O5
Molecular Weight:
309.2780
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Product Description
Catalog Number:
AG0094EX
Chemical Name:
N2-Boc-guanine-9-acetic acid
CAS Number:
1028077-12-4
Molecular Formula:
C12H15N5O5
Molecular Weight:
309.2780
MDL Number:
MFCD24466541
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetic acid
InChI:
InChI=1S/C12H15N5O5/c1-12(2,3)22-11(21)16-10-14-8-7(9(20)15-10)13-5-17(8)4-6(18)19/h5H,4H2,1-3H3,(H,18,19)(H2,14,15,16,20,21)
InChI Key:
CALJQZKJKDPZDN-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cnc2c1[nH]c(NC(=O)OC(C)(C)C)nc2=O
Properties
Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.107g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.282g/mol
Monoisotopic Mass:
309.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties