| CAS Number | 103285-24-1 |
| Catalog Number | AG00HA0V(AGN-PC-0WR0EI) |
| Chemical Name | 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylguanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-1H-purin-6-one |
| InChI | InChI=1S/C32H33N5O7/c1-40-22-13-9-20(10-14-22)32(19-7-5-4-6-8-19,21-11-15-23(41-2)16-12-21)43-17-24-26(38)27(42-3)30(44-24)37-18-34-25-28(37)35-31(33)36-29(25)39/h4-16,18,24,26-27,30,38H,17H2,1-3H3,(H3,33,35,36,39)/t24-,26-,27-,30-/m1/s1 |
| InChI Key | AYVWAUNZRMANQB-BQOYKFDPSA-N |
| MDL Number | MFCD15145231 |
| Molecular Formula | C32H33N5O7 |
| Molecular Weight | 599.6337 |
| SMILES | COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)n1cnc2c1nc(N)[nH]c2=O |
| Synonyms | 5'-O-Dmt-2'-o-methylguanosine,
103285-24-1,
SCHEMBL18042134,
ZINC100229295,
|
| Complexity | 972 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 599.237998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 599.6g/mol |
| Monoisotopic Mass | 599.237998g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 152Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number