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86234-44-8 | Adenosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-deoxy-
CAS No: 86234-44-8 Catalog No: AG004S3Z MDL No:
Product Description
Catalog Number:
AG004S3Z
Chemical Name:
Adenosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-deoxy-
CAS Number:
86234-44-8
Molecular Formula:
C31H31N5O5
Molecular Weight:
553.6083
IUPAC Name:
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
InChI:
InChI=1S/C31H31N5O5/c1-38-23-12-8-21(9-13-23)31(20-6-4-3-5-7-20,22-10-14-24(39-2)15-11-22)40-17-25-16-26(37)30(41-25)36-19-35-27-28(32)33-18-34-29(27)36/h3-15,18-19,25-26,30,37H,16-17H2,1-2H3,(H2,32,33,34)/t25-,26+,30+/m0/s1
InChI Key:
NOBMIXQDCWEUCH-LUXHBGHRSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
553.233g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
553.619g/mol
Monoisotopic Mass:
553.233g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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