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

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

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 0.0002

Sources