| CAS Number | 76512-82-8 |
| Catalog Number | AG005BLH(AGN-PC-0OHTW3) |
| Chemical Name | 4-Amino-1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)pyrimidin-2(1H)-one |
| IUPAC Name | 4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one |
| InChI | InChI=1S/C30H31N3O6/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(34)18-28(39-26)33-17-16-27(31)32-29(33)35/h3-17,25-26,28,34H,18-19H2,1-2H3,(H2,31,32,35)/t25-,26+,28+/m0/s1 |
| InChI Key | XMBLVFBRAADPJF-ZRRKCSAHSA-N |
| MDL Number | MFCD06796700 |
| Molecular Formula | C30H31N3O6 |
| Molecular Weight | 529.5836 |
| SMILES | NC1=NC(N(C=C1)[C@@H]1O[C@@H]([C@H](C1)O)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)=O |
| Synonyms | 5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine,
76512-82-8,
SCHEMBL6885492,
C30H31N3O6,
CTK8F6943,
DTXSID80473339,
5894AH,
MFCD06796700,
ZINC59601424,
AKOS027439697,
5'-o-(4,4'-Dimethoxytrityl)-2'-deoxycytidine min. 99,5%,
CID11813427,
4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy,
4-amino-1-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-oxolan-2-yl]pyrimidin-2-one,
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| Complexity | 850 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 529.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 529.593g/mol |
| Monoisotopic Mass | 529.221g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number