trans-Zeatin riboside diphosphate
PubChem CID: 24892783
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| Compound Synonyms | trans-Zeatin riboside diphosphate, tZRDP, 9-ribosyl-trans-zeatin 5'-diphosphate, 9-beta-D-ribosyl-trans-zeatin 5'-diphosphate, 9-beta-D-ribofuranosyl-trans-zeatin 5'-diphosphate, trans-zeatin 9-beta-D-ribofuranoside 5'-diphosphate, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine 5'-(trihydrogen diphosphate), CHEBI:71875, Q27139821, [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate |
|---|---|
| Topological Polar Surface Area | 239.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 800.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -3.7 |
| Is Pains | False |
| Molecular Formula | C15H23N5O11P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MXFPFNSSZYNJGX-HNNGNKQASA-N |
| Fcsp3 | 0.5333333333333333 |
| Rotatable Bond Count | 10.0 |
| Compound Name | trans-Zeatin riboside diphosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 511.087 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 511.087 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 511.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.22100838181818297 |
| Inchi | InChI=1S/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1 |
| Smiles | C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)/CO |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients