2D structurePubChem CID 67440929
Tapatybė
CID 67440929
Nenurodyta · C20H25FN3O9P
01Tapatybė
| Lazychem ID | LC-39023 |
|---|---|
| CAS RN | Nenurodyta |
| PubChem CID | 67440929 |
| Molecular formula | C20H25FN3O9P |
| Molecular weight | 501.4 g/mol |
| IUPAC name | methyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChIKey | SASYBZIIPQSWBV-ZWXZMKCMSA-N |
02Struktūra ir stereochemija
2D structurePubChem CID 67440929
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 6 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@@H](C(=O)OC)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3 |
|---|---|
| InChI | Nenurodyta |
03Stereochemistry
The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction
Published same-connectivity configurations
4 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 56665990
![Two-dimensional chemical structure of Methyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate](/structures/pubchem/56665990-300.png)
Methyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CAS not listed
SASYBZIIPQSWBV-UHFFFAOYSA-N
0 defined, 6 unassigned centres
2D structurePubChem CID 67439911
Sofosbuvir (R)-phosphate methyl ester impurity
CAS not listed
SASYBZIIPQSWBV-MNKZNHEVSA-N
6 defined, 0 unassigned centres
2D structurePubChem CID 45268391
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statusas Indijoje
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Pavadinimai ir ryšiai
API ir pirminis vaistas
Nenurodyta
Pavadinimai ir ryšiai
06Šaltiniai
- S01PubChem CID 67440929
Structure and machine-readable chemical identifiers.