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113799-66-9 | Guanosine, 2'-deoxy-8-[(6-nitro-1-pyrenyl)amino]-
CAS No: 113799-66-9 Catalog No: AG0009P8 MDL No:
Product Description
Catalog Number:
AG0009P8
Chemical Name:
Guanosine, 2'-deoxy-8-[(6-nitro-1-pyrenyl)amino]-
CAS Number:
113799-66-9
Molecular Formula:
C26H21N7O6
Molecular Weight:
527.4882
IUPAC Name:
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(6-nitropyren-1-yl)amino]-1H-purin-6-one
InChI:
InChI=1S/C26H21N7O6/c27-25-30-23-22(24(36)31-25)29-26(32(23)19-9-17(35)18(10-34)39-19)28-15-7-3-11-2-6-14-16(33(37)38)8-4-12-1-5-13(15)20(11)21(12)14/h1-8,17-19,34-35H,9-10H2,(H,28,29)(H3,27,30,31,36)/t17-,18+,19+/m0/s1
InChI Key:
ONCUKZLYVUMPIN-IPMKNSEASA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(Nc2ccc3c4c2ccc2c4c(cc3)c(cc2)[N+](=O)[O-])nc2c1nc(N)[nH]c2=O
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
527.155g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
527.497g/mol
Monoisotopic Mass:
527.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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