Dihydrozeatin riboside
PubChem CID: 10522005
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| Compound Synonyms | Dihydrozeatin riboside, DL-DIHYDROZEATIN RIBOSIDE, 22663-55-4, 64070-21-9, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxolane-3,4-diol, Dihydrozeatin ribonucleoside, Adenosine, N-(4-hydroxy-3-methylbutyl)-, N-(4-Hydroxy-3-methylbutyl)adenosine, Ribosyldihydrozeatin, Adenosine, N-(4-hydroxy-3-methylbutyl)-, (R)-, CHEBI:80498, DTXSID50441247, DBVVQDGIJAUEAZ-YXYADJKSSA-N, 1E498C14-69BB-424A-922F-813C4D7657F2, 6-(4-hydroxy-3-methylbutylamino)-9-b-D-ribofuranosylpurine, 9-.beta.-D-Ribofuranosyldihydrozeatin, ND30220, G77723, Q27149548, 6-(4-hydroxy-3-methylbutylamino)-9-beta-d-ribofuranosylpurine, (2R,3R,4S,5R)-2-(6-(4-hydroxy-3-methylbutylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2C(C1)CCC2C1CCCC1 |
| Np Classifier Class | Purine nucleos(t)ides |
| Deep Smiles | OCCCCNcncncc6ncn5[C@@H]O[C@@H][C@H][C@H]5O))O))CO)))))))))))))))))C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Purine nucleosides |
| Scaffold Graph Node Level | C1COC(N2CNC3CNCNC32)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxolane-3,4-diol |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H23N5O5 |
| Scaffold Graph Node Bond Level | c1ncc2ncn(C3CCCO3)c2n1 |
| Inchi Key | DBVVQDGIJAUEAZ-YXYADJKSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | dihydrozeatin riboside |
| Esol Class | Very soluble |
| Functional Groups | CO, COC, cNC, cn(c)C, cnc |
| Compound Name | Dihydrozeatin riboside |
| Exact Mass | 353.17 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.17 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 353.37 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)/t8?,9-,11-,12-,15-/m1/s1 |
| Smiles | CC(CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Nucleosides |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11543183