(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate
PubChem CID: 256623
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| Compound Synonyms | ChemDiv1_018752, DivK1c_003536, HMS640E08, DTXSID90861662, AAA08594, MFCD00715213, AKOS001582654, AKOS021984136, CDS1_002496, PD040853, SR-01000388371, SR-01000388371-1, 4-amino-1-(2-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one, (2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(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 | [2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -3.2 |
| Is Pains | False |
| Molecular Formula | C9H14N3O8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQUAKORMLHPSLZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 4.0 |
| Compound Name | (2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate |
| 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 | -0.4115561714285717 |
| Inchi | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/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)O)OP(=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