| CAS Number | 128219-84-1 |
| Catalog Number | AG000XW4(AGN-PC-0PIQ1D) |
| Chemical Name | 5'-O-Dmt-2'-O-methyl-inosine |
| IUPAC Name | 9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-1H-purin-6-one |
| InChI | InChI=1S/C32H32N4O7/c1-39-23-13-9-21(10-14-23)32(20-7-5-4-6-8-20,22-11-15-24(40-2)16-12-22)42-17-25-27(37)28(41-3)31(43-25)36-19-35-26-29(36)33-18-34-30(26)38/h4-16,18-19,25,27-28,31,37H,17H2,1-3H3,(H,33,34,38)/t25-,27-,28-,31-/m1/s1 |
| InChI Key | KXFBGUCGEWPHRA-QWOIFIOOSA-N |
| MDL Number | MFCD01630998 |
| Molecular Formula | C32H32N4O7 |
| Molecular Weight | 584.6191 |
| SMILES | CO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(O)ncnc12 |
| Synonyms | 128219-84-1,
5'-O-DMT-2'-O-METHYL-INOSINE,
5'-O-(DIMETHOXYTRITYL)-2'-O-METHYLINOSINE,
9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-ol,
HG1382,
MFCD01630998,
ZINC100096396,
AS-49390,
5'-O-(4,4'-Dimethoxytrityl)-2'-O-methylinosine,
J-700119,
9-((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-1H-purin-6(9H)-one,
|
| Complexity | 924 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 584.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.629g/mol |
| Monoisotopic Mass | 584.227g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number