Substance
- Substance Name: 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
- Formula: C9H13N5O4
- Molecular Weight: 255.23 g/mol
- Identifiers:
- inchi: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
- inchikey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
- casrn: 82410-32-0
- csmiles: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
- ismiles: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
- pubchemId: 3454
- iupacname: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
- wikidataId: Q417640
- chemspiderId: 3336
- dsstoxcmpId: DTXCID6021032
- chemblId: CHEMBL182
- ecnumber: 627-054-3
9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
Systems and Datasets
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + methanol (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + propan-1-ol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + propan-2-ol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + butan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + acetonitrile (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + acetone (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + ethyl acetate (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + toluene (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.8b01080 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + acetonitrile + butan-1-ol (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.8b01080 (Dataseries: 9, Datapoints: 99, Quantity: Mole fraction)