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88158-13-8 | Guanosine, 8-[(4-methylphenyl)methyl]-
CAS No: 88158-13-8 Catalog No: AG004FZW MDL No:
Product Description
Catalog Number:
AG004FZW
Chemical Name:
Guanosine, 8-[(4-methylphenyl)methyl]-
CAS Number:
88158-13-8
Molecular Formula:
C18H21N5O5
Molecular Weight:
387.3898
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(4-methylphenyl)methyl]-1H-purin-6-one
InChI:
InChI=1S/C18H21N5O5/c1-8-2-4-9(5-3-8)6-11-20-12-15(21-18(19)22-16(12)27)23(11)17-14(26)13(25)10(7-24)28-17/h2-5,10,13-14,17,24-26H,6-7H2,1H3,(H3,19,21,22,27)/t10-,13-,14-,17-/m1/s1
InChI Key:
DAGPZHVDLADYGA-IWCJZZDYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Cc2ccc(cc2)C)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
387.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
387.396g/mol
Monoisotopic Mass:
387.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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