trans-Zeatin riboside monophosphate
PubChem CID: 11561034
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| Compound Synonyms | 25615-16-1, tZRMP, 9-ribosyl-trans-zeatin 5'-monophosphate, trans-zeatin riboside monophosphate, 9-beta-D-ribosyl-trans-zeatin 5'-monophosphate, ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(((E)-4-hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate, 15075-52-2, 9-beta-D-ribofuranosyl-trans-zeatin 5'-monophosphate, trans-zeatin 9-beta-D-ribofuranoside 5'-monophosphate, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine 5'-(dihydrogen phosphate), ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((4-hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate, trans-Zeatin riboside-5'-monophosphate sodium salt, CHEBI:71719, DTXSID801282922, ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(((Z)-4-hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate, {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid, {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid, trans-Zeatin riboside monophosphate, NZ30328, trans-Zeatin riboside-5a(2)-monophosphate, Q27139819, [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate, 6-((E)-4-hydroxy-3-methylbut-2-enylamino)-9-b-D-ribofuranosyl-purine-5'-monophosphate disodium salt, Zeatin ribonucleotide |
|---|---|
| Topological Polar Surface Area | 192.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| 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 dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Xlogp | -2.6 |
| Molecular Formula | C15H22N5O8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRILMCCKFANGJQ-HNNGNKQASA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -1.669 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.054 |
| Compound Name | trans-Zeatin riboside monophosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 431.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 431.121 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 431.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.5716755724137942 |
| Inchi | InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(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)O)O)O)/CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients