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125310-67-0 | Guanosine, N-(2-amino-1-phenanthrenyl)-2'-deoxy- (9CI)
CAS No: 125310-67-0 Catalog No: AG000NGO MDL No:
Product Description
Catalog Number:
AG000NGO
Chemical Name:
Guanosine, N-(2-amino-1-phenanthrenyl)-2'-deoxy- (9CI)
CAS Number:
125310-67-0
Molecular Formula:
C24H22N6O4
Molecular Weight:
458.4693
IUPAC Name:
2-[(2-aminophenanthren-1-yl)amino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C24H22N6O4/c25-16-8-7-14-13-4-2-1-3-12(13)5-6-15(14)20(16)27-24-28-22-21(23(33)29-24)26-11-30(22)19-9-17(32)18(10-31)34-19/h1-8,11,17-19,31-32H,9-10,25H2,(H2,27,28,29,33)/t17-,18+,19+/m0/s1
InChI Key:
WDNSIJUYLCRXEQ-IPMKNSEASA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Nc1c(N)ccc3c1ccc1c3cccc1)[nH]c2=O
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
458.17g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
458.478g/mol
Monoisotopic Mass:
458.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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