Mixture of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + 2-Propanol

9-[(1,3-dihydroxy-2-propoxy)methyl] guanine

Name
9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
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)
InChI Key
IRSCQMHQWWYFCW-UHFFFAOYSA-N
Formula
C9H13N5O4
SMILES
Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1
Mol. Weight (g/mol)
255.23

2-Propanol

Name
2-Propanol
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CC(C)O
Mol. Weight (g/mol)
60.10
CAS
67-63-0
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Datasets

  1. Mole fraction

Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) - Liquid
278.15 0.0001
283.15 0.0001
288.15 0.0001
293.15 0.0001
298.15 0.0001
303.15 0.0001
308.15 0.0001
313.15 0.0001
318.15 0.0001

Sources