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136859-75-1 | Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-8-(phenylmethoxy)- (9CI)
CAS No: 136859-75-1 Catalog No: AG0012HG MDL No:
Product Description
Catalog Number:
AG0012HG
Chemical Name:
Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-8-(phenylmethoxy)- (9CI)
CAS Number:
136859-75-1
Molecular Formula:
C21H25N5O6
Molecular Weight:
443.4531
IUPAC Name:
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-8-phenylmethoxy-1H-purin-2-yl]-2-methylpropanamide
InChI:
InChI=1S/C21H25N5O6/c1-11(2)18(29)24-20-23-17-16(19(30)25-20)22-21(31-10-12-6-4-3-5-7-12)26(17)15-8-13(28)14(9-27)32-15/h3-7,11,13-15,27-28H,8-10H2,1-2H3,(H2,23,24,25,29,30)/t13-,14+,15+/m0/s1
InChI Key:
BYOYFYXCACQEQZ-RRFJBIMHSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(OCc2ccccc2)nc2c1nc(NC(=O)C(C)C)[nH]c2=O
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
443.18g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
443.46g/mol
Monoisotopic Mass:
443.18g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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