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114451-13-7 | Guanosine, N-(6-amino-5-chrysenyl)-2'-deoxy-
CAS No: 114451-13-7 Catalog No: AG000EFK MDL No:
Product Description
Catalog Number:
AG000EFK
Chemical Name:
Guanosine, N-(6-amino-5-chrysenyl)-2'-deoxy-
CAS Number:
114451-13-7
Molecular Formula:
C28H24N6O4
Molecular Weight:
508.5280
IUPAC Name:
2-[(6-aminochrysen-5-yl)amino]-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C28H24N6O4/c29-23-18-8-4-3-7-16(18)17-10-9-14-5-1-2-6-15(14)22(17)24(23)31-28-32-26-25(27(37)33-28)30-13-34(26)21-11-19(36)20(12-35)38-21/h1-10,13,19-21,35-36H,11-12,29H2,(H2,31,32,33,37)
InChI Key:
QGQGCFCYQQYOSK-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Nc1c(N)c3ccccc3c3c1c1ccccc1cc3)[nH]c2=O
Properties
Complexity:
935
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.186g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
508.538g/mol
Monoisotopic Mass:
508.186g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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