| CAS Number | 132336-30-2 |
| Catalog Number | AG009C6X(AGN-PC-0PJPBW) |
| Chemical Name | 2(1H)-Pyrimidinone, 4-amino-1-[(2S)-2-hydroxy-3-(triphenylmethoxy)propyl]- |
| IUPAC Name | 4-amino-1-[(2S)-2-hydroxy-3-trityloxypropyl]pyrimidin-2-one |
| InChI | InChI=1S/C26H25N3O3/c27-24-16-17-29(25(31)28-24)18-23(30)19-32-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23,30H,18-19H2,(H2,27,28,31)/t23-/m0/s1 |
| InChI Key | SCFIEAYTLMXFPD-QHCPKHFHSA-N |
| MDL Number | MFCD28167854 |
| Molecular Formula | C26H25N3O3 |
| Molecular Weight | 427.4950 |
| SMILES | O=C1N=C(N)C=CN1C[C@H](O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonyms | 132336-30-2,
(S)-4-amino-1-(2-hydroxy-3-(trityloxy)propyl)pyrimidin-2(1H)-one,
2(1H)-Pyrimidinone, 4-amino-1-[(2S)-2-hydroxy-3-(triphenylmethoxy)propyl]-,
SCHEMBL5813473,
CS-M2360,
AKOS030211507,
ZINC140970220,
CS-14735,
FT-0699708,
2(1H)-PyriMidinone,4-aMino-1-[(2S)-2-hydroxy-3-(triphenylMethoxy)propyl]-,
4-amino-1-[(2S)-2-hydroxy-3-trityloxypropyl]pyrimidin-2-one,
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| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 427.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 427.504g/mol |
| Monoisotopic Mass | 427.19g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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