2(1H)-Pyrimidinone, 4-amino-1-(3-O-phosphono-beta-D-arabinofuranosyl)-
PubChem CID: 256622
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| Compound Synonyms | 14433-47-7, 4-amino-1-(3-o-phosphonopentofuranosyl)pyrimidin-2(1h)-one, Aracytidine 3'-monophosphate, CERAPP_26425, SCHEMBL3608348, DTXSID20861655, DTXSID30292557, Cytosine, 3'-(dihydrogen phosphate), NSC127075, 2(1H)-Pyrimidinone, 4-amino-1-(3-O-phosphono-.beta.-D-arabinofuranosyl)-, NSC-127075, DB-056799, 5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE |
|---|---|
| Topological Polar Surface Area | 175.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -3.8 |
| Is Pains | False |
| Molecular Formula | C9H14N3O8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOOOPKANIPLQPU-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2(1H)-Pyrimidinone, 4-amino-1-(3-O-phosphono-beta-D-arabinofuranosyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.052 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 323.052 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 323.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.06505617142857145 |
| Inchi | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) |
| Smiles | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients