Chemical Properties of 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

InChI
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2
InChI Key
VCCMGHVCRFMITI-UHFFFAOYSA-N
Formula
C12H15NO8
SMILES
O=[N+]([O-])c1cccc(OC2OC(CO)C(O)C(O)C2O)c1
Molecular Weight1
301.25
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Physical Properties

Property Value Unit Source
ΔfusH° 53.49 kJ/mol Joback Calculated Property
IE 9.60 eV Relay (1.0) Calculated Property
log10WS -1.27 Aq. Solubility Prediction
logPoct/wat -1.227 Crippen Calculated Property
McVol 197.960 ml/mol McGowan Calculated Property
Tboil 701.23 K Relay (1.0) Calculated Property
Tfus 426.27 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [700.82; 711.81] J/mol×K [1076.42; 1318.89] Show Hide
Cp,gas 700.82 J/mol×K 1076.42 Joback Calculated Property
Cp,gas 705.74 J/mol×K 1116.83 Joback Calculated Property
Cp,gas 709.21 J/mol×K 1157.24 Joback Calculated Property
Cp,gas 711.23 J/mol×K 1197.66 Joback Calculated Property
Cp,gas 711.81 J/mol×K 1238.07 Joback Calculated Property
Cp,gas 710.97 J/mol×K 1278.48 Joback Calculated Property
Cp,gas 708.71 J/mol×K 1318.89 Joback Calculated Property

Similar Compounds

o-Nitrophenyl-«beta»-D-galactopyranoside. 2-(hydroxymethyl)-6-(phenoxy)oxane-3,4,5-triol. Methyl salicylate, Rut, TFA. Monotropitoside. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 2, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 1, TFA. Methyl salicylate, Gly, TFA. naringin. Esculin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Guanine riboside, TMS. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Salicin. 13-Acetoxyanagyrine. TCN.

Find more compounds similar to 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol.

Sources

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