Chemical Properties of GA3-3«beta»-O-glucoside, permethylated

GA3-3«beta»-O-glucoside, permethylated

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C31H44O11/c1-16-13-29-15-30(16,39-8)11-9-18(29)31-12-10-19(28(2,27(33)42-31)24(31)20(29)25(32)38-7)41-26-23(37-6)22(36-5)21(35-4)17(40-26)14-34-3/h10,12,17-24,26H,1,9,11,13-15H2,2-8H3/t17-,18-,19+,20-,21-,22+,23-,24-,26+,28-,29+,30+,31-/m0/s1
InChI Key
TVGMOUYLAFAEER-VWAQXLAKSA-N
Formula
C31H44O11
SMILES
C=C1CC23CC1(OC)CCC2C12C=CC(OC4OC(COC)C(OC)C(OC)C4OC)C(C)(C(=O)O1)C2C3C(=O)OC
Molecular Weight1
592.67

Physical Properties

Property Value Unit Source
Δf -637.50 kJ/mol Joback Calculated Property
Δfgas -1656.39 kJ/mol Joback Calculated Property
Δfus 62.11 kJ/mol Joback Calculated Property
Δvap 115.50 kJ/mol Joback Calculated Property
log10WS -3.39 Crippen Calculated Property
logPoct/wat 2.210 Crippen Calculated Property
McVol 429.860 ml/mol McGowan Calculated Property
Pc 905.06 kPa Joback Calculated Property
Inp 3514.00 NIST
Tboil 1269.59 K Joback Calculated Property
Tc 1558.60 K Joback Calculated Property
Tfus 936.43 K Joback Calculated Property
Vc 1.609 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [2021.95; 2630.16] J/mol×K [1269.59; 1558.60] Show Hide
Cp,gas 2021.95 J/mol×K 1269.59 Joback Calculated Property
Cp,gas 2101.70 J/mol×K 1317.76 Joback Calculated Property
Cp,gas 2188.98 J/mol×K 1365.93 Joback Calculated Property
Cp,gas 2284.63 J/mol×K 1414.10 Joback Calculated Property
Cp,gas 2389.48 J/mol×K 1462.27 Joback Calculated Property
Cp,gas 2504.38 J/mol×K 1510.43 Joback Calculated Property
Cp,gas 2630.16 J/mol×K 1558.60 Joback Calculated Property

Similar Compounds

GA7-3«beta»-O-glucoside, permethylated. GA3-13-O-glucoside, permethylated. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl. GA1-13-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-13-O-glucoside, permethylated. GA1, 13-O-glucoside, permethylated. GA8-13-O-glucoside, permethylated. GA8-2-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-3«alpha»-O-glucoside, permethylated. 3-epiGA1-3-O-«beta»-D-glucopyranoside, permethyl. GA1-3«beta»-O-glucoside, permethylated. GA8-2-O-glucoside, permethyl. GA1-3-O-«beta»-D-glucopyranoside, permethyl. GA8-2«beta»-O-glucoside, permethylated. GA35-11«beta»-O-glucoside, permethylated.

Find more compounds similar to GA3-3«beta»-O-glucoside, permethylated.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.