[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:C10H15N5O10P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is not a drug-like molecule.
| MolName | [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate |
| MolecularFormula | C10H15N5O10P2 |
| Smiles | Nc1c2ncn([C@@H]([C@@H]3O)O[C@@H](COP(O)(OP(O)(O)=O)=O)[C@@H]3O)c2ncn1 |
| InChI | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1 |
| InChIK | XTWYTFMLZFPYCI-DEGSGYPDSA-N |
| TotalMolweight | 427.202 |
| Molweight | 427.202 |
| MonoisotopicMass | 427.029419 |
| CLogP | -7.6115 |
| CLogS | 0.331 |
| H Acceptors | 15 |
| H Donors | 6 |
| TotalSurfaceArea | 261.41 |
| Relative PSA | 0.70613 |
| PolarSurfaceArea | 252.22 |
| Druglikeness | -30.411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 17 |
| Electronegative Atoms | 17 |
| StereoCenters | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 15 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | 2 - [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off