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209785-64-8 | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(phenylmethyl)- (9CI)
CAS No: 209785-64-8 Catalog No: AG002KF2 MDL No:
Product Description
Catalog Number:
AG002KF2
Chemical Name:
Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(phenylmethyl)- (9CI)
CAS Number:
209785-64-8
Molecular Formula:
C38H37N5O6
Molecular Weight:
659.7303
IUPAC Name:
9-[(2R,4S,5R)-5-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-(ethylamino)-1H-purin-6-one
InChI:
InChI=1S/C33H35N5O6/c1-4-34-32-36-30-28(31(40)37-32)35-20-38(30)27-18-24(39)26(44-27)19-43-33(21-12-7-5-8-13-21,22-14-9-6-10-15-22)23-16-11-17-25(41-2)29(23)42-3/h5-17,20,24,26-27,39H,4,18-19H2,1-3H3,(H2,34,36,37,40)/t24-,26+,27+/m0/s1
InChI Key:
JFUMBDXBVJUUMW-WYMJOSIYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(NCc1ccccc1)[nH]c2=O
Properties
Complexity:
970
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
597.259g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
597.672g/mol
Monoisotopic Mass:
597.259g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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