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133073-65-1 | Guanosine, 2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI)
CAS No: 133073-65-1 Catalog No: AG00145N MDL No:
Product Description
Catalog Number:
AG00145N
Chemical Name:
Guanosine, 2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI)
CAS Number:
133073-65-1
Molecular Formula:
C30H27N5O4
Molecular Weight:
521.5665
IUPAC Name:
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(12-methylbenzo[a]anthracen-7-yl)methylamino]-1H-purin-6-one
InChI:
InChI=1S/C30H27N5O4/c1-16-18-7-4-5-9-20(18)22(21-11-10-17-6-2-3-8-19(17)26(16)21)13-31-30-33-28-27(29(38)34-30)32-15-35(28)25-12-23(37)24(14-36)39-25/h2-11,15,23-25,36-37H,12-14H2,1H3,(H2,31,33,34,38)
InChI Key:
WQVBIILHIMKJCL-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(NCc1c3ccccc3c(c3c1ccc1c3cccc1)C)[nH]c2=O
Properties
Complexity:
948
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.206g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
521.577g/mol
Monoisotopic Mass:
521.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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