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87781-99-5 | Guanosine, N-(4-butylphenyl)-
CAS No: 87781-99-5 Catalog No: AG004KYL MDL No:
Product Description
Catalog Number:
AG004KYL
Chemical Name:
Guanosine, N-(4-butylphenyl)-
CAS Number:
87781-99-5
Molecular Formula:
C20H25N5O5
Molecular Weight:
415.4430
IUPAC Name:
2-(4-butylanilino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C20H25N5O5/c1-2-3-4-11-5-7-12(8-6-11)22-20-23-17-14(18(29)24-20)21-10-25(17)19-16(28)15(27)13(9-26)30-19/h5-8,10,13,15-16,19,26-28H,2-4,9H2,1H3,(H2,22,23,24,29)/t13-,15-,16-,19-/m1/s1
InChI Key:
JAXMZNNMUDQIPH-NVQRDWNXSA-N
SMILES:
CCCCc1ccc(cc1)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
415.186g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
415.45g/mol
Monoisotopic Mass:
415.186g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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