2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one
PubChem CID: 135402012
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| Compound Synonyms | 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one, MFCD00070129, Guanosine-3',5'-cyclic monophosphate, SCHEMBL52166, CHEBI:182024, ZOOGRGPOEVQQDX-UHFFFAOYSA-N, NCGC00485353-01, SY077294, Q50318259, Guanosine 3',5'-cyclic monophosphate, >=98% (HPLC), powder, Guanosine 3 inverted exclamation mark ,5 inverted exclamation mark -monophosphate, 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1H-purin-6-one, 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-uro[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1H-purin-6-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 171.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CC(C3CCC4C(C)CCCC43)CC2C1 |
| Np Classifier Class | Purine nucleos(t)ides |
| Deep Smiles | OCCOP=O)O)OCC6OC9ncncc5ncN)[nH]c6=O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Purine nucleotides |
| Scaffold Graph Node Level | OC1NCNC2C1NCN2C1CC2OP(O)OCC2O1 |
| Classyfire Subclass | Cyclic purine nucleotides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1H-purin-6-one |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12N5O7P |
| Scaffold Graph Node Bond Level | O=c1[nH]cnc2c1ncn2C1CC2O[PH](=O)OCC2O1 |
| Inchi Key | ZOOGRGPOEVQQDX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | guanosine 3',5'-monophosphate, guanosine-3',5'-monophosphate |
| Esol Class | Very soluble |
| Functional Groups | CO, COC, COP(=O)(O)OC, c=O, cN, c[nH]c, cn(c)C, cnc |
| Compound Name | 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one |
| Exact Mass | 345.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.047 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 345.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17) |
| Smiles | C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Nucleosides |
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