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309947-86-2 | Imidodicarbonic acid, 2-(9H-purin-6-yl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 309947-86-2 Catalog No: AG0031V0 MDL No:MFCD17676144
Product Description
Catalog Number:
AG0031V0
Chemical Name:
Imidodicarbonic acid, 2-(9H-purin-6-yl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
309947-86-2
Molecular Formula:
C15H21N5O4
Molecular Weight:
335.3583
MDL Number:
MFCD17676144
IUPAC Name:
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate
InChI:
InChI=1S/C15H21N5O4/c1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11/h7-8H,1-6H3,(H,16,17,18,19)
InChI Key:
WNOSWAQZBWMIGM-UHFFFAOYSA-N
SMILES:
O=C(N(c1ncnc2c1nc[nH]2)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.364g/mol
Monoisotopic Mass:
335.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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